USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN :FLIP amide:sc= 0.476 F(o=0.92,f=1.6) USER MOD Set 1.2: A 90 ASN :FLIP amide:sc= 1.08 F(o=0.92,f=1.6) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 72 MET CE :methyl 147:sc= -0.116 (180deg=-0.642) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0.522 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -149:sc= 0.508 (180deg=-0.849) USER MOD Set 4.1: A 36 GLN : amide:sc= -0.177 K(o=0.79,f=-0.019) USER MOD Set 4.2: A 43 THR OG1 : rot -32:sc= 0.97 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.758 K(o=0.76,f=-0.086) USER MOD Single : A 54 ASN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2!) USER MOD Single : A 62 MET CE :methyl -143:sc= -0.146 (180deg=-0.876) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= -0.246 (180deg=-0.253) USER MOD Single : A 66 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.17) USER MOD Single : A 68 THR OG1 : rot 105:sc= 1.2 USER MOD Single : A 74 THR OG1 : rot -78:sc= 0.886 USER MOD Single : A 77 GLN : amide:sc= -0.749 X(o=-0.75,f=-0.9) USER MOD Single : A 80 TYR OH : rot 119:sc= 0.222 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.733 K(o=-0.73,f=-1.6) USER MOD Single : A 85 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.26) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 157:sc=-0.00459 (180deg=-0.158) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.081 6.527 3.039 1.00 3.30 N ATOM 280 CA VAL A 21 -10.865 5.152 3.454 1.00 24.50 C ATOM 281 C VAL A 21 -9.540 4.631 2.879 1.00 4.41 C ATOM 282 O VAL A 21 -9.199 4.909 1.723 1.00 64.12 O ATOM 283 CB VAL A 21 -12.052 4.263 3.039 1.00 72.31 C ATOM 284 CG1 VAL A 21 -11.978 2.890 3.726 1.00 34.21 C ATOM 285 CG2 VAL A 21 -13.419 4.880 3.388 1.00 52.13 C ATOM 0 HA VAL A 21 -10.799 5.117 4.541 1.00 24.50 H new ATOM 0 HB VAL A 21 -11.973 4.166 1.956 1.00 72.31 H new ATOM 0 HG11 VAL A 21 -12.828 2.282 3.416 1.00 34.21 H new ATOM 0 HG12 VAL A 21 -11.052 2.391 3.442 1.00 34.21 H new ATOM 0 HG13 VAL A 21 -12.002 3.023 4.808 1.00 34.21 H new ATOM 0 HG21 VAL A 21 -14.214 4.206 3.070 1.00 52.13 H new ATOM 0 HG22 VAL A 21 -13.484 5.036 4.465 1.00 52.13 H new ATOM 0 HG23 VAL A 21 -13.528 5.836 2.876 1.00 52.13 H new ATOM 295 N LEU A 22 -8.811 3.856 3.683 1.00 61.42 N ATOM 296 CA LEU A 22 -7.575 3.178 3.302 1.00 53.24 C ATOM 297 C LEU A 22 -7.826 2.146 2.190 1.00 24.50 C ATOM 298 O LEU A 22 -8.955 1.659 2.035 1.00 53.02 O ATOM 299 CB LEU A 22 -6.986 2.438 4.523 1.00 75.22 C ATOM 300 CG LEU A 22 -6.484 3.340 5.664 1.00 20.52 C ATOM 301 CD1 LEU A 22 -6.156 2.487 6.894 1.00 3.21 C ATOM 302 CD2 LEU A 22 -5.226 4.117 5.283 1.00 74.14 C ATOM 0 H LEU A 22 -9.076 3.678 4.652 1.00 61.42 H new ATOM 0 HA LEU A 22 -6.881 3.936 2.939 1.00 53.24 H new ATOM 0 HB2 LEU A 22 -7.747 1.767 4.921 1.00 75.22 H new ATOM 0 HB3 LEU A 22 -6.158 1.815 4.184 1.00 75.22 H new ATOM 0 HG LEU A 22 -7.282 4.051 5.875 1.00 20.52 H new ATOM 0 HD11 LEU A 22 -5.801 3.131 7.699 1.00 3.21 H new ATOM 0 HD12 LEU A 22 -7.052 1.959 7.220 1.00 3.21 H new ATOM 0 HD13 LEU A 22 -5.381 1.764 6.639 1.00 3.21 H new ATOM 0 HD21 LEU A 22 -4.913 4.738 6.123 1.00 74.14 H new ATOM 0 HD22 LEU A 22 -4.428 3.418 5.032 1.00 74.14 H new ATOM 0 HD23 LEU A 22 -5.437 4.751 4.422 1.00 74.14 H new ATOM 313 N PRO A 23 -6.775 1.724 1.466 1.00 40.54 N ATOM 314 CA PRO A 23 -6.789 0.490 0.685 1.00 53.34 C ATOM 315 C PRO A 23 -7.018 -0.754 1.566 1.00 21.33 C ATOM 316 O PRO A 23 -6.930 -0.677 2.800 1.00 31.50 O ATOM 317 CB PRO A 23 -5.437 0.435 -0.040 1.00 64.11 C ATOM 318 CG PRO A 23 -4.548 1.422 0.708 1.00 34.31 C ATOM 319 CD PRO A 23 -5.513 2.430 1.306 1.00 55.33 C ATOM 0 HA PRO A 23 -7.618 0.488 -0.023 1.00 53.34 H new ATOM 0 HB2 PRO A 23 -5.017 -0.571 -0.016 1.00 64.11 H new ATOM 0 HB3 PRO A 23 -5.540 0.713 -1.089 1.00 64.11 H new ATOM 0 HG2 PRO A 23 -3.966 0.923 1.483 1.00 34.31 H new ATOM 0 HG3 PRO A 23 -3.838 1.904 0.036 1.00 34.31 H new ATOM 0 HD2 PRO A 23 -5.148 2.800 2.264 1.00 55.33 H new ATOM 0 HD3 PRO A 23 -5.629 3.295 0.653 1.00 55.33 H new ATOM 324 N PRO A 24 -7.325 -1.913 0.959 1.00 0.00 N ATOM 325 CA PRO A 24 -7.392 -3.204 1.641 1.00 54.44 C ATOM 326 C PRO A 24 -5.981 -3.771 1.895 1.00 34.14 C ATOM 327 O PRO A 24 -4.979 -3.138 1.565 1.00 3.23 O ATOM 328 CB PRO A 24 -8.227 -4.080 0.700 1.00 64.22 C ATOM 329 CG PRO A 24 -7.837 -3.560 -0.680 1.00 35.44 C ATOM 330 CD PRO A 24 -7.632 -2.068 -0.456 1.00 45.21 C ATOM 0 HA PRO A 24 -7.842 -3.143 2.632 1.00 54.44 H new ATOM 0 HB2 PRO A 24 -7.990 -5.138 0.816 1.00 64.22 H new ATOM 0 HB3 PRO A 24 -9.295 -3.970 0.887 1.00 64.22 H new ATOM 0 HG2 PRO A 24 -6.929 -4.039 -1.047 1.00 35.44 H new ATOM 0 HG3 PRO A 24 -8.618 -3.751 -1.416 1.00 35.44 H new ATOM 0 HD2 PRO A 24 -6.819 -1.689 -1.075 1.00 45.21 H new ATOM 0 HD3 PRO A 24 -8.527 -1.507 -0.725 1.00 45.21 H new ATOM 335 N THR A 25 -5.891 -4.978 2.450 1.00 61.41 N ATOM 336 CA THR A 25 -4.655 -5.669 2.823 1.00 54.11 C ATOM 337 C THR A 25 -4.787 -7.171 2.543 1.00 20.31 C ATOM 338 O THR A 25 -5.909 -7.665 2.371 1.00 42.43 O ATOM 339 CB THR A 25 -4.350 -5.432 4.321 1.00 55.05 C ATOM 340 OG1 THR A 25 -5.523 -5.149 5.062 1.00 62.41 O ATOM 341 CG2 THR A 25 -3.362 -4.280 4.491 1.00 42.02 C ATOM 0 H THR A 25 -6.721 -5.531 2.664 1.00 61.41 H new ATOM 0 HA THR A 25 -3.833 -5.272 2.228 1.00 54.11 H new ATOM 0 HB THR A 25 -3.914 -6.354 4.705 1.00 55.05 H new ATOM 0 HG1 THR A 25 -5.289 -5.007 6.003 1.00 62.41 H new ATOM 0 HG21 THR A 25 -3.159 -4.128 5.551 1.00 42.02 H new ATOM 0 HG22 THR A 25 -2.432 -4.519 3.975 1.00 42.02 H new ATOM 0 HG23 THR A 25 -3.788 -3.370 4.069 1.00 42.02 H new ATOM 349 N PRO A 26 -3.675 -7.933 2.530 1.00 34.11 N ATOM 350 CA PRO A 26 -3.762 -9.379 2.493 1.00 54.03 C ATOM 351 C PRO A 26 -4.297 -9.861 3.835 1.00 12.55 C ATOM 352 O PRO A 26 -3.917 -9.352 4.894 1.00 55.12 O ATOM 353 CB PRO A 26 -2.348 -9.892 2.245 1.00 72.44 C ATOM 354 CG PRO A 26 -1.430 -8.753 2.673 1.00 32.41 C ATOM 355 CD PRO A 26 -2.304 -7.503 2.764 1.00 11.32 C ATOM 0 HA PRO A 26 -4.430 -9.741 1.712 1.00 54.03 H new ATOM 0 HB2 PRO A 26 -2.150 -10.796 2.822 1.00 72.44 H new ATOM 0 HB3 PRO A 26 -2.199 -10.145 1.195 1.00 72.44 H new ATOM 0 HG2 PRO A 26 -0.963 -8.971 3.634 1.00 32.41 H new ATOM 0 HG3 PRO A 26 -0.625 -8.612 1.952 1.00 32.41 H new ATOM 0 HD2 PRO A 26 -2.207 -7.034 3.743 1.00 11.32 H new ATOM 0 HD3 PRO A 26 -1.999 -6.763 2.024 1.00 11.32 H new ATOM 360 N LYS A 27 -5.122 -10.904 3.806 1.00 34.32 N ATOM 361 CA LYS A 27 -5.867 -11.391 4.966 1.00 13.14 C ATOM 362 C LYS A 27 -5.031 -12.104 6.034 1.00 1.31 C ATOM 363 O LYS A 27 -5.551 -12.939 6.777 1.00 3.02 O ATOM 364 CB LYS A 27 -7.058 -12.230 4.477 1.00 54.14 C ATOM 365 CG LYS A 27 -6.619 -13.555 3.831 1.00 74.44 C ATOM 366 CD LYS A 27 -7.835 -14.431 3.527 1.00 33.50 C ATOM 367 CE LYS A 27 -7.444 -15.904 3.623 1.00 62.11 C ATOM 368 NZ LYS A 27 -8.601 -16.798 3.452 1.00 33.20 N ATOM 0 H LYS A 27 -5.296 -11.446 2.959 1.00 34.32 H new ATOM 0 HA LYS A 27 -6.229 -10.514 5.502 1.00 13.14 H new ATOM 0 HB2 LYS A 27 -7.719 -12.441 5.317 1.00 54.14 H new ATOM 0 HB3 LYS A 27 -7.634 -11.651 3.755 1.00 54.14 H new ATOM 0 HG2 LYS A 27 -6.069 -13.354 2.911 1.00 74.44 H new ATOM 0 HG3 LYS A 27 -5.940 -14.085 4.499 1.00 74.44 H new ATOM 0 HD2 LYS A 27 -8.639 -14.211 4.230 1.00 33.50 H new ATOM 0 HD3 LYS A 27 -8.215 -14.210 2.530 1.00 33.50 H new ATOM 0 HE2 LYS A 27 -6.697 -16.130 2.863 1.00 62.11 H new ATOM 0 HE3 LYS A 27 -6.981 -16.093 4.591 1.00 62.11 H new ATOM 0 HZ1 LYS A 27 -8.289 -17.787 3.525 1.00 33.20 H new ATOM 0 HZ2 LYS A 27 -9.304 -16.601 4.193 1.00 33.20 H new ATOM 0 HZ3 LYS A 27 -9.029 -16.638 2.518 1.00 33.20 H new ATOM 378 N ASN A 28 -3.739 -11.816 6.117 1.00 65.44 N ATOM 379 CA ASN A 28 -2.750 -12.577 6.835 1.00 44.02 C ATOM 380 C ASN A 28 -2.297 -11.803 8.062 1.00 14.35 C ATOM 381 O ASN A 28 -2.138 -12.400 9.124 1.00 62.52 O ATOM 382 CB ASN A 28 -1.586 -12.872 5.883 1.00 44.02 C ATOM 383 CG ASN A 28 -1.974 -13.930 4.857 1.00 22.10 C ATOM 384 OD1 ASN A 28 -1.804 -15.124 5.081 1.00 74.43 O ATOM 385 ND2 ASN A 28 -2.521 -13.516 3.726 1.00 42.43 N ATOM 0 H ASN A 28 -3.341 -10.998 5.656 1.00 65.44 H new ATOM 0 HA ASN A 28 -3.165 -13.522 7.185 1.00 44.02 H new ATOM 0 HB2 ASN A 28 -1.289 -11.956 5.372 1.00 44.02 H new ATOM 0 HB3 ASN A 28 -0.722 -13.213 6.454 1.00 44.02 H new ATOM 0 HD21 ASN A 28 -2.810 -14.194 3.021 1.00 42.43 H new ATOM 0 HD22 ASN A 28 -2.654 -12.519 3.559 1.00 42.43 H new ATOM 391 N ILE A 29 -2.078 -10.491 7.932 1.00 40.44 N ATOM 392 CA ILE A 29 -1.533 -9.625 8.974 1.00 15.02 C ATOM 393 C ILE A 29 -2.173 -8.230 8.811 1.00 20.31 C ATOM 394 O ILE A 29 -2.735 -7.963 7.744 1.00 73.43 O ATOM 395 CB ILE A 29 0.016 -9.571 8.881 1.00 63.21 C ATOM 396 CG1 ILE A 29 0.587 -8.703 7.741 1.00 4.01 C ATOM 397 CG2 ILE A 29 0.660 -10.962 8.821 1.00 1.32 C ATOM 398 CD1 ILE A 29 0.327 -9.181 6.317 1.00 62.24 C ATOM 0 H ILE A 29 -2.283 -9.989 7.068 1.00 40.44 H new ATOM 0 HA ILE A 29 -1.769 -10.014 9.964 1.00 15.02 H new ATOM 0 HB ILE A 29 0.286 -9.078 9.815 1.00 63.21 H new ATOM 0 HG12 ILE A 29 0.178 -7.698 7.842 1.00 4.01 H new ATOM 0 HG13 ILE A 29 1.665 -8.624 7.881 1.00 4.01 H new ATOM 0 HG21 ILE A 29 1.743 -10.859 8.757 1.00 1.32 H new ATOM 0 HG22 ILE A 29 0.401 -11.522 9.720 1.00 1.32 H new ATOM 0 HG23 ILE A 29 0.294 -11.495 7.944 1.00 1.32 H new ATOM 0 HD11 ILE A 29 0.780 -8.485 5.611 1.00 62.24 H new ATOM 0 HD12 ILE A 29 0.763 -10.171 6.180 1.00 62.24 H new ATOM 0 HD13 ILE A 29 -0.747 -9.230 6.140 1.00 62.24 H new ATOM 409 N PRO A 30 -2.135 -7.345 9.820 1.00 42.51 N ATOM 410 CA PRO A 30 -2.684 -5.989 9.724 1.00 43.14 C ATOM 411 C PRO A 30 -1.730 -5.017 9.007 1.00 0.34 C ATOM 412 O PRO A 30 -0.560 -5.340 8.803 1.00 75.34 O ATOM 413 CB PRO A 30 -2.893 -5.568 11.178 1.00 23.21 C ATOM 414 CG PRO A 30 -1.804 -6.316 11.942 1.00 32.42 C ATOM 415 CD PRO A 30 -1.663 -7.623 11.168 1.00 11.15 C ATOM 0 HA PRO A 30 -3.601 -5.970 9.135 1.00 43.14 H new ATOM 0 HB2 PRO A 30 -2.795 -4.489 11.299 1.00 23.21 H new ATOM 0 HB3 PRO A 30 -3.887 -5.840 11.533 1.00 23.21 H new ATOM 0 HG2 PRO A 30 -0.869 -5.756 11.959 1.00 32.42 H new ATOM 0 HG3 PRO A 30 -2.089 -6.492 12.979 1.00 32.42 H new ATOM 0 HD2 PRO A 30 -0.626 -7.960 11.157 1.00 11.15 H new ATOM 0 HD3 PRO A 30 -2.250 -8.416 11.631 1.00 11.15 H new ATOM 420 N LEU A 31 -2.186 -3.789 8.713 1.00 73.34 N ATOM 421 CA LEU A 31 -1.381 -2.698 8.144 1.00 34.11 C ATOM 422 C LEU A 31 -0.009 -2.537 8.822 1.00 14.22 C ATOM 423 O LEU A 31 0.995 -2.682 8.125 1.00 54.25 O ATOM 424 CB LEU A 31 -2.212 -1.398 8.096 1.00 11.32 C ATOM 425 CG LEU A 31 -1.546 -0.120 7.535 1.00 1.13 C ATOM 426 CD1 LEU A 31 -0.722 0.661 8.565 1.00 51.12 C ATOM 427 CD2 LEU A 31 -0.676 -0.380 6.304 1.00 3.42 C ATOM 0 H LEU A 31 -3.157 -3.520 8.870 1.00 73.34 H new ATOM 0 HA LEU A 31 -1.130 -2.962 7.117 1.00 34.11 H new ATOM 0 HB2 LEU A 31 -3.104 -1.596 7.502 1.00 11.32 H new ATOM 0 HB3 LEU A 31 -2.547 -1.180 9.110 1.00 11.32 H new ATOM 0 HG LEU A 31 -2.398 0.494 7.245 1.00 1.13 H new ATOM 0 HD11 LEU A 31 -0.289 1.542 8.092 1.00 51.12 H new ATOM 0 HD12 LEU A 31 -1.367 0.971 9.388 1.00 51.12 H new ATOM 0 HD13 LEU A 31 0.076 0.026 8.949 1.00 51.12 H new ATOM 0 HD21 LEU A 31 -0.239 0.558 5.962 1.00 3.42 H new ATOM 0 HD22 LEU A 31 0.120 -1.078 6.562 1.00 3.42 H new ATOM 0 HD23 LEU A 31 -1.288 -0.806 5.509 1.00 3.42 H new ATOM 438 N PRO A 32 0.119 -2.288 10.141 1.00 74.24 N ATOM 439 CA PRO A 32 1.427 -2.136 10.782 1.00 64.13 C ATOM 440 C PRO A 32 2.272 -3.424 10.818 1.00 3.30 C ATOM 441 O PRO A 32 3.358 -3.413 11.397 1.00 75.25 O ATOM 442 CB PRO A 32 1.153 -1.559 12.174 1.00 52.24 C ATOM 443 CG PRO A 32 -0.275 -1.996 12.469 1.00 51.21 C ATOM 444 CD PRO A 32 -0.935 -1.969 11.093 1.00 61.35 C ATOM 0 HA PRO A 32 2.051 -1.465 10.192 1.00 64.13 H new ATOM 0 HB2 PRO A 32 1.852 -1.948 12.914 1.00 52.24 H new ATOM 0 HB3 PRO A 32 1.250 -0.473 12.184 1.00 52.24 H new ATOM 0 HG2 PRO A 32 -0.309 -2.991 12.913 1.00 51.21 H new ATOM 0 HG3 PRO A 32 -0.768 -1.319 13.166 1.00 51.21 H new ATOM 0 HD2 PRO A 32 -1.747 -2.694 11.035 1.00 61.35 H new ATOM 0 HD3 PRO A 32 -1.366 -0.990 10.885 1.00 61.35 H new ATOM 449 N ALA A 33 1.840 -4.526 10.202 1.00 4.33 N ATOM 450 CA ALA A 33 2.701 -5.654 9.879 1.00 35.21 C ATOM 451 C ALA A 33 2.978 -5.702 8.376 1.00 2.05 C ATOM 452 O ALA A 33 4.132 -5.924 8.009 1.00 51.21 O ATOM 453 CB ALA A 33 2.072 -6.940 10.403 1.00 32.40 C ATOM 0 H ALA A 33 0.871 -4.657 9.912 1.00 4.33 H new ATOM 0 HA ALA A 33 3.668 -5.537 10.369 1.00 35.21 H new ATOM 0 HB1 ALA A 33 2.717 -7.785 10.161 1.00 32.40 H new ATOM 0 HB2 ALA A 33 1.953 -6.872 11.484 1.00 32.40 H new ATOM 0 HB3 ALA A 33 1.096 -7.083 9.939 1.00 32.40 H new ATOM 459 N PHE A 34 1.968 -5.462 7.523 1.00 45.12 N ATOM 460 CA PHE A 34 2.045 -5.674 6.070 1.00 11.14 C ATOM 461 C PHE A 34 3.168 -4.895 5.370 1.00 33.24 C ATOM 462 O PHE A 34 3.565 -5.252 4.265 1.00 51.22 O ATOM 463 CB PHE A 34 0.693 -5.412 5.374 1.00 22.12 C ATOM 464 CG PHE A 34 0.704 -5.702 3.870 1.00 34.50 C ATOM 465 CD1 PHE A 34 1.288 -6.889 3.368 1.00 1.34 C ATOM 466 CD2 PHE A 34 0.226 -4.745 2.948 1.00 31.42 C ATOM 467 CE1 PHE A 34 1.442 -7.083 1.987 1.00 74.21 C ATOM 468 CE2 PHE A 34 0.326 -4.966 1.564 1.00 11.43 C ATOM 469 CZ PHE A 34 0.967 -6.117 1.086 1.00 2.02 C ATOM 0 H PHE A 34 1.061 -5.110 7.830 1.00 45.12 H new ATOM 0 HA PHE A 34 2.298 -6.729 5.966 1.00 11.14 H new ATOM 0 HB2 PHE A 34 -0.073 -6.026 5.847 1.00 22.12 H new ATOM 0 HB3 PHE A 34 0.410 -4.371 5.532 1.00 22.12 H new ATOM 0 HD1 PHE A 34 1.619 -7.654 4.055 1.00 1.34 H new ATOM 0 HD2 PHE A 34 -0.222 -3.832 3.311 1.00 31.42 H new ATOM 0 HE1 PHE A 34 1.926 -7.975 1.617 1.00 74.21 H new ATOM 0 HE2 PHE A 34 -0.090 -4.251 0.870 1.00 11.43 H new ATOM 0 HZ PHE A 34 1.096 -6.261 0.023 1.00 2.02 H new ATOM 478 N GLY A 35 3.721 -3.868 5.998 1.00 1.32 N ATOM 479 CA GLY A 35 4.901 -3.170 5.534 1.00 54.42 C ATOM 480 C GLY A 35 6.068 -3.509 6.442 1.00 51.53 C ATOM 481 O GLY A 35 7.066 -4.065 5.987 1.00 51.13 O ATOM 0 H GLY A 35 3.347 -3.490 6.869 1.00 1.32 H new ATOM 0 HA2 GLY A 35 5.128 -3.457 4.507 1.00 54.42 H new ATOM 0 HA3 GLY A 35 4.725 -2.094 5.533 1.00 54.42 H new ATOM 485 N GLN A 36 5.940 -3.196 7.735 1.00 51.12 N ATOM 486 CA GLN A 36 7.055 -3.195 8.684 1.00 60.22 C ATOM 487 C GLN A 36 7.856 -4.501 8.704 1.00 2.01 C ATOM 488 O GLN A 36 9.073 -4.447 8.873 1.00 13.00 O ATOM 489 CB GLN A 36 6.568 -2.889 10.106 1.00 4.50 C ATOM 490 CG GLN A 36 5.766 -1.587 10.231 1.00 20.54 C ATOM 491 CD GLN A 36 5.407 -1.273 11.680 1.00 31.23 C ATOM 492 OE1 GLN A 36 5.907 -1.874 12.632 1.00 43.45 O ATOM 493 NE2 GLN A 36 4.506 -0.334 11.898 1.00 4.42 N ATOM 0 H GLN A 36 5.049 -2.933 8.156 1.00 51.12 H new ATOM 0 HA GLN A 36 7.724 -2.409 8.333 1.00 60.22 H new ATOM 0 HB2 GLN A 36 5.950 -3.718 10.452 1.00 4.50 H new ATOM 0 HB3 GLN A 36 7.431 -2.836 10.770 1.00 4.50 H new ATOM 0 HG2 GLN A 36 6.345 -0.763 9.814 1.00 20.54 H new ATOM 0 HG3 GLN A 36 4.853 -1.665 9.640 1.00 20.54 H new ATOM 0 HE21 GLN A 36 4.090 0.166 11.112 1.00 4.42 H new ATOM 0 HE22 GLN A 36 4.226 -0.108 12.852 1.00 4.42 H new ATOM 500 N ARG A 37 7.201 -5.658 8.544 1.00 22.11 N ATOM 501 CA ARG A 37 7.828 -6.980 8.683 1.00 25.41 C ATOM 502 C ARG A 37 7.772 -7.798 7.399 1.00 51.04 C ATOM 503 O ARG A 37 8.076 -8.990 7.408 1.00 13.22 O ATOM 504 CB ARG A 37 7.183 -7.732 9.858 1.00 32.50 C ATOM 505 CG ARG A 37 7.557 -7.058 11.179 1.00 32.30 C ATOM 506 CD ARG A 37 7.245 -7.962 12.373 1.00 21.13 C ATOM 507 NE ARG A 37 8.027 -7.538 13.541 1.00 75.23 N ATOM 508 CZ ARG A 37 9.318 -7.807 13.759 1.00 1.02 C ATOM 509 NH1 ARG A 37 9.985 -8.690 13.018 1.00 43.34 N ATOM 510 NH2 ARG A 37 9.944 -7.169 14.737 1.00 63.44 N ATOM 0 H ARG A 37 6.209 -5.704 8.312 1.00 22.11 H new ATOM 0 HA ARG A 37 8.887 -6.828 8.890 1.00 25.41 H new ATOM 0 HB2 ARG A 37 6.099 -7.745 9.741 1.00 32.50 H new ATOM 0 HB3 ARG A 37 7.516 -8.770 9.863 1.00 32.50 H new ATOM 0 HG2 ARG A 37 8.618 -6.810 11.175 1.00 32.30 H new ATOM 0 HG3 ARG A 37 7.011 -6.120 11.278 1.00 32.30 H new ATOM 0 HD2 ARG A 37 6.180 -7.920 12.603 1.00 21.13 H new ATOM 0 HD3 ARG A 37 7.477 -8.998 12.126 1.00 21.13 H new ATOM 0 HE ARG A 37 7.541 -6.989 14.250 1.00 75.23 H new ATOM 0 HH11 ARG A 37 9.511 -9.182 12.260 1.00 43.34 H new ATOM 0 HH12 ARG A 37 10.970 -8.875 13.208 1.00 43.34 H new ATOM 0 HH21 ARG A 37 9.441 -6.488 15.306 1.00 63.44 H new ATOM 0 HH22 ARG A 37 10.929 -7.359 14.921 1.00 63.44 H new ATOM 521 N ILE A 38 7.353 -7.179 6.301 1.00 51.22 N ATOM 522 CA ILE A 38 7.073 -7.858 5.042 1.00 42.34 C ATOM 523 C ILE A 38 7.861 -7.162 3.935 1.00 3.01 C ATOM 524 O ILE A 38 8.461 -7.847 3.113 1.00 41.05 O ATOM 525 CB ILE A 38 5.551 -7.849 4.791 1.00 11.03 C ATOM 526 CG1 ILE A 38 4.716 -8.433 5.956 1.00 62.34 C ATOM 527 CG2 ILE A 38 5.160 -8.514 3.460 1.00 1.34 C ATOM 528 CD1 ILE A 38 4.836 -9.937 6.169 1.00 55.45 C ATOM 0 H ILE A 38 7.196 -6.172 6.261 1.00 51.22 H new ATOM 0 HA ILE A 38 7.386 -8.902 5.069 1.00 42.34 H new ATOM 0 HB ILE A 38 5.300 -6.790 4.726 1.00 11.03 H new ATOM 0 HG12 ILE A 38 5.011 -7.930 6.877 1.00 62.34 H new ATOM 0 HG13 ILE A 38 3.667 -8.192 5.783 1.00 62.34 H new ATOM 0 HG21 ILE A 38 4.077 -8.477 3.339 1.00 1.34 H new ATOM 0 HG22 ILE A 38 5.635 -7.984 2.635 1.00 1.34 H new ATOM 0 HG23 ILE A 38 5.490 -9.553 3.462 1.00 1.34 H new ATOM 0 HD11 ILE A 38 4.210 -10.237 7.009 1.00 55.45 H new ATOM 0 HD12 ILE A 38 4.510 -10.459 5.269 1.00 55.45 H new ATOM 0 HD13 ILE A 38 5.874 -10.193 6.381 1.00 55.45 H new ATOM 539 N ILE A 39 7.889 -5.829 3.954 1.00 51.53 N ATOM 540 CA ILE A 39 8.586 -4.952 3.021 1.00 74.23 C ATOM 541 C ILE A 39 9.892 -4.452 3.664 1.00 34.12 C ATOM 542 O ILE A 39 10.736 -3.876 2.985 1.00 51.12 O ATOM 543 CB ILE A 39 7.637 -3.775 2.646 1.00 51.04 C ATOM 544 CG1 ILE A 39 6.211 -4.215 2.243 1.00 12.23 C ATOM 545 CG2 ILE A 39 8.205 -2.913 1.509 1.00 1.00 C ATOM 546 CD1 ILE A 39 6.108 -5.088 0.997 1.00 61.24 C ATOM 0 H ILE A 39 7.391 -5.301 4.671 1.00 51.53 H new ATOM 0 HA ILE A 39 8.853 -5.486 2.109 1.00 74.23 H new ATOM 0 HB ILE A 39 7.569 -3.195 3.566 1.00 51.04 H new ATOM 0 HG12 ILE A 39 5.769 -4.757 3.079 1.00 12.23 H new ATOM 0 HG13 ILE A 39 5.607 -3.321 2.087 1.00 12.23 H new ATOM 0 HG21 ILE A 39 7.509 -2.105 1.282 1.00 1.00 H new ATOM 0 HG22 ILE A 39 9.162 -2.492 1.815 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.347 -3.529 0.621 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.063 -5.335 0.811 1.00 61.24 H new ATOM 0 HD12 ILE A 39 6.511 -4.548 0.140 1.00 61.24 H new ATOM 0 HD13 ILE A 39 6.676 -6.006 1.148 1.00 61.24 H new ATOM 557 N GLY A 40 10.077 -4.621 4.981 1.00 61.22 N ATOM 558 CA GLY A 40 11.264 -4.148 5.694 1.00 15.23 C ATOM 559 C GLY A 40 11.386 -2.620 5.721 1.00 5.45 C ATOM 560 O GLY A 40 12.397 -2.099 6.180 1.00 0.45 O ATOM 0 H GLY A 40 9.401 -5.093 5.582 1.00 61.22 H new ATOM 0 HA2 GLY A 40 11.237 -4.522 6.718 1.00 15.23 H new ATOM 0 HA3 GLY A 40 12.153 -4.568 5.224 1.00 15.23 H new ATOM 564 N TRP A 41 10.363 -1.884 5.270 1.00 40.23 N ATOM 565 CA TRP A 41 10.341 -0.431 5.077 1.00 60.53 C ATOM 566 C TRP A 41 10.361 0.385 6.375 1.00 53.22 C ATOM 567 O TRP A 41 9.876 1.521 6.379 1.00 33.12 O ATOM 568 CB TRP A 41 9.132 -0.081 4.181 1.00 71.24 C ATOM 569 CG TRP A 41 7.758 -0.110 4.801 1.00 13.13 C ATOM 570 CD1 TRP A 41 7.476 -0.500 6.065 1.00 74.34 C ATOM 571 CD2 TRP A 41 6.478 0.342 4.247 1.00 11.00 C ATOM 572 NE1 TRP A 41 6.176 -0.195 6.376 1.00 13.23 N ATOM 573 CE2 TRP A 41 5.518 0.359 5.305 1.00 14.45 C ATOM 574 CE3 TRP A 41 6.028 0.789 2.983 1.00 1.33 C ATOM 575 CZ2 TRP A 41 4.215 0.847 5.144 1.00 14.44 C ATOM 576 CZ3 TRP A 41 4.689 1.189 2.796 1.00 52.42 C ATOM 577 CH2 TRP A 41 3.794 1.256 3.874 1.00 53.11 C ATOM 0 H TRP A 41 9.474 -2.315 5.015 1.00 40.23 H new ATOM 0 HA TRP A 41 11.271 -0.144 4.586 1.00 60.53 H new ATOM 0 HB2 TRP A 41 9.295 0.918 3.777 1.00 71.24 H new ATOM 0 HB3 TRP A 41 9.132 -0.770 3.337 1.00 71.24 H new ATOM 0 HD1 TRP A 41 8.174 -0.982 6.733 1.00 74.34 H new ATOM 0 HE1 TRP A 41 5.751 -0.359 7.288 1.00 13.23 H new ATOM 0 HE3 TRP A 41 6.717 0.824 2.152 1.00 1.33 H new ATOM 0 HZ2 TRP A 41 3.545 0.907 5.989 1.00 14.44 H new ATOM 0 HZ3 TRP A 41 4.346 1.448 1.805 1.00 52.42 H new ATOM 0 HH2 TRP A 41 2.788 1.620 3.725 1.00 53.11 H new ATOM 587 N GLY A 42 10.850 -0.183 7.478 1.00 52.15 N ATOM 588 CA GLY A 42 10.783 0.361 8.820 1.00 55.11 C ATOM 589 C GLY A 42 9.376 0.856 9.082 1.00 53.03 C ATOM 590 O GLY A 42 8.433 0.072 9.002 1.00 34.23 O ATOM 0 H GLY A 42 11.328 -1.084 7.449 1.00 52.15 H new ATOM 0 HA2 GLY A 42 11.056 -0.402 9.549 1.00 55.11 H new ATOM 0 HA3 GLY A 42 11.496 1.178 8.931 1.00 55.11 H new ATOM 594 N THR A 43 9.228 2.154 9.340 1.00 43.12 N ATOM 595 CA THR A 43 7.941 2.742 9.739 1.00 42.42 C ATOM 596 C THR A 43 7.952 4.279 9.816 1.00 54.34 C ATOM 597 O THR A 43 7.082 4.870 10.461 1.00 53.33 O ATOM 598 CB THR A 43 7.419 2.052 11.036 1.00 41.11 C ATOM 599 OG1 THR A 43 6.163 2.553 11.459 1.00 41.24 O ATOM 600 CG2 THR A 43 8.392 2.130 12.211 1.00 0.12 C ATOM 0 H THR A 43 9.990 2.829 9.280 1.00 43.12 H new ATOM 0 HA THR A 43 7.226 2.538 8.942 1.00 42.42 H new ATOM 0 HB THR A 43 7.314 1.007 10.745 1.00 41.11 H new ATOM 0 HG1 THR A 43 6.089 3.499 11.214 1.00 41.24 H new ATOM 0 HG21 THR A 43 7.959 1.628 13.076 1.00 0.12 H new ATOM 0 HG22 THR A 43 9.329 1.643 11.941 1.00 0.12 H new ATOM 0 HG23 THR A 43 8.584 3.175 12.456 1.00 0.12 H new ATOM 608 N GLY A 44 8.902 4.952 9.176 1.00 71.24 N ATOM 609 CA GLY A 44 9.201 6.348 9.479 1.00 0.25 C ATOM 610 C GLY A 44 9.932 7.093 8.372 1.00 32.10 C ATOM 611 O GLY A 44 10.839 7.864 8.676 1.00 54.55 O ATOM 0 H GLY A 44 9.482 4.551 8.439 1.00 71.24 H new ATOM 0 HA2 GLY A 44 8.267 6.868 9.694 1.00 0.25 H new ATOM 0 HA3 GLY A 44 9.804 6.388 10.386 1.00 0.25 H new ATOM 615 N ALA A 45 9.542 6.895 7.110 1.00 4.23 N ATOM 616 CA ALA A 45 10.097 7.496 5.893 1.00 3.00 C ATOM 617 C ALA A 45 11.449 6.872 5.556 1.00 43.34 C ATOM 618 O ALA A 45 11.604 6.265 4.498 1.00 74.41 O ATOM 619 CB ALA A 45 10.173 9.033 5.968 1.00 11.12 C ATOM 0 H ALA A 45 8.771 6.262 6.896 1.00 4.23 H new ATOM 0 HA ALA A 45 9.408 7.274 5.078 1.00 3.00 H new ATOM 0 HB1 ALA A 45 10.591 9.422 5.040 1.00 11.12 H new ATOM 0 HB2 ALA A 45 9.172 9.440 6.114 1.00 11.12 H new ATOM 0 HB3 ALA A 45 10.809 9.326 6.804 1.00 11.12 H new ATOM 625 N GLU A 46 12.417 7.012 6.457 1.00 33.12 N ATOM 626 CA GLU A 46 13.764 6.501 6.314 1.00 0.35 C ATOM 627 C GLU A 46 13.766 4.988 6.162 1.00 41.31 C ATOM 628 O GLU A 46 14.529 4.472 5.356 1.00 24.40 O ATOM 629 CB GLU A 46 14.571 6.940 7.534 1.00 53.04 C ATOM 630 CG GLU A 46 15.093 8.367 7.337 1.00 11.25 C ATOM 631 CD GLU A 46 16.606 8.380 7.177 1.00 41.55 C ATOM 632 OE1 GLU A 46 17.122 7.955 6.122 1.00 44.25 O ATOM 633 OE2 GLU A 46 17.282 8.837 8.126 1.00 54.11 O ATOM 0 H GLU A 46 12.272 7.505 7.338 1.00 33.12 H new ATOM 0 HA GLU A 46 14.219 6.903 5.409 1.00 0.35 H new ATOM 0 HB2 GLU A 46 13.948 6.893 8.427 1.00 53.04 H new ATOM 0 HB3 GLU A 46 15.406 6.258 7.691 1.00 53.04 H new ATOM 0 HG2 GLU A 46 14.627 8.809 6.456 1.00 11.25 H new ATOM 0 HG3 GLU A 46 14.809 8.982 8.191 1.00 11.25 H new ATOM 638 N GLY A 47 12.874 4.274 6.848 1.00 4.25 N ATOM 639 CA GLY A 47 12.753 2.837 6.681 1.00 12.04 C ATOM 640 C GLY A 47 12.562 2.461 5.210 1.00 43.23 C ATOM 641 O GLY A 47 13.195 1.533 4.718 1.00 60.25 O ATOM 0 H GLY A 47 12.225 4.675 7.525 1.00 4.25 H new ATOM 0 HA2 GLY A 47 13.646 2.347 7.071 1.00 12.04 H new ATOM 0 HA3 GLY A 47 11.908 2.471 7.265 1.00 12.04 H new ATOM 645 N ALA A 48 11.688 3.185 4.502 1.00 44.03 N ATOM 646 CA ALA A 48 11.459 2.973 3.084 1.00 71.23 C ATOM 647 C ALA A 48 12.609 3.514 2.231 1.00 1.35 C ATOM 648 O ALA A 48 12.843 2.967 1.163 1.00 15.42 O ATOM 649 CB ALA A 48 10.130 3.611 2.666 1.00 24.50 C ATOM 0 H ALA A 48 11.123 3.933 4.904 1.00 44.03 H new ATOM 0 HA ALA A 48 11.410 1.898 2.912 1.00 71.23 H new ATOM 0 HB1 ALA A 48 9.967 3.447 1.601 1.00 24.50 H new ATOM 0 HB2 ALA A 48 9.315 3.159 3.232 1.00 24.50 H new ATOM 0 HB3 ALA A 48 10.161 4.682 2.868 1.00 24.50 H new ATOM 655 N ARG A 49 13.323 4.565 2.653 1.00 63.12 N ATOM 656 CA ARG A 49 14.491 5.083 1.932 1.00 15.54 C ATOM 657 C ARG A 49 15.571 4.013 1.885 1.00 62.31 C ATOM 658 O ARG A 49 15.993 3.597 0.805 1.00 35.23 O ATOM 659 CB ARG A 49 15.006 6.347 2.640 1.00 54.14 C ATOM 660 CG ARG A 49 16.242 7.002 2.005 1.00 41.44 C ATOM 661 CD ARG A 49 16.748 8.050 3.001 1.00 34.21 C ATOM 662 NE ARG A 49 17.633 9.069 2.423 1.00 62.21 N ATOM 663 CZ ARG A 49 18.305 9.962 3.160 1.00 13.32 C ATOM 664 NH1 ARG A 49 18.371 9.847 4.483 1.00 32.45 N ATOM 665 NH2 ARG A 49 18.922 10.986 2.578 1.00 73.42 N ATOM 0 H ARG A 49 13.106 5.081 3.506 1.00 63.12 H new ATOM 0 HA ARG A 49 14.215 5.343 0.910 1.00 15.54 H new ATOM 0 HB2 ARG A 49 14.201 7.081 2.667 1.00 54.14 H new ATOM 0 HB3 ARG A 49 15.241 6.093 3.674 1.00 54.14 H new ATOM 0 HG2 ARG A 49 17.012 6.258 1.802 1.00 41.44 H new ATOM 0 HG3 ARG A 49 15.987 7.466 1.052 1.00 41.44 H new ATOM 0 HD2 ARG A 49 15.889 8.548 3.452 1.00 34.21 H new ATOM 0 HD3 ARG A 49 17.279 7.541 3.805 1.00 34.21 H new ATOM 0 HE ARG A 49 17.741 9.098 1.409 1.00 62.21 H new ATOM 0 HH11 ARG A 49 17.905 9.070 4.951 1.00 32.45 H new ATOM 0 HH12 ARG A 49 18.887 10.536 5.030 1.00 32.45 H new ATOM 0 HH21 ARG A 49 18.885 11.095 1.564 1.00 73.42 H new ATOM 0 HH22 ARG A 49 19.432 11.663 3.145 1.00 73.42 H new ATOM 676 N GLN A 50 16.007 3.570 3.065 1.00 72.13 N ATOM 677 CA GLN A 50 17.146 2.689 3.221 1.00 11.13 C ATOM 678 C GLN A 50 16.832 1.310 2.629 1.00 44.52 C ATOM 679 O GLN A 50 17.755 0.541 2.382 1.00 43.32 O ATOM 680 CB GLN A 50 17.540 2.563 4.701 1.00 23.10 C ATOM 681 CG GLN A 50 17.791 3.879 5.462 1.00 3.34 C ATOM 682 CD GLN A 50 19.000 4.707 5.037 1.00 22.30 C ATOM 683 OE1 GLN A 50 20.051 4.188 4.687 1.00 0.31 O ATOM 684 NE2 GLN A 50 18.922 6.024 5.162 1.00 42.25 N ATOM 0 H GLN A 50 15.565 3.822 3.949 1.00 72.13 H new ATOM 0 HA GLN A 50 17.991 3.118 2.682 1.00 11.13 H new ATOM 0 HB2 GLN A 50 16.752 2.015 5.218 1.00 23.10 H new ATOM 0 HB3 GLN A 50 18.443 1.956 4.763 1.00 23.10 H new ATOM 0 HG2 GLN A 50 16.902 4.502 5.363 1.00 3.34 H new ATOM 0 HG3 GLN A 50 17.898 3.643 6.521 1.00 3.34 H new ATOM 0 HE21 GLN A 50 18.046 6.458 5.454 1.00 42.25 H new ATOM 0 HE22 GLN A 50 19.738 6.604 4.966 1.00 42.25 H new ATOM 691 N ARG A 51 15.562 0.975 2.357 1.00 20.31 N ATOM 692 CA ARG A 51 15.177 -0.269 1.693 1.00 31.33 C ATOM 693 C ARG A 51 14.517 -0.051 0.325 1.00 11.42 C ATOM 694 O ARG A 51 13.790 -0.921 -0.146 1.00 3.04 O ATOM 695 CB ARG A 51 14.405 -1.202 2.655 1.00 41.12 C ATOM 696 CG ARG A 51 15.321 -1.973 3.627 1.00 22.32 C ATOM 697 CD ARG A 51 16.282 -2.935 2.898 1.00 61.25 C ATOM 698 NE ARG A 51 16.758 -4.024 3.764 1.00 4.33 N ATOM 699 CZ ARG A 51 17.461 -5.098 3.385 1.00 21.20 C ATOM 700 NH1 ARG A 51 18.017 -5.200 2.180 1.00 73.15 N ATOM 701 NH2 ARG A 51 17.594 -6.093 4.249 1.00 0.02 N ATOM 0 H ARG A 51 14.769 1.570 2.596 1.00 20.31 H new ATOM 0 HA ARG A 51 16.092 -0.805 1.439 1.00 31.33 H new ATOM 0 HB2 ARG A 51 13.693 -0.610 3.231 1.00 41.12 H new ATOM 0 HB3 ARG A 51 13.826 -1.916 2.070 1.00 41.12 H new ATOM 0 HG2 ARG A 51 15.901 -1.262 4.215 1.00 22.32 H new ATOM 0 HG3 ARG A 51 14.707 -2.540 4.327 1.00 22.32 H new ATOM 0 HD2 ARG A 51 15.776 -3.360 2.031 1.00 61.25 H new ATOM 0 HD3 ARG A 51 17.138 -2.373 2.524 1.00 61.25 H new ATOM 0 HE ARG A 51 16.529 -3.954 4.755 1.00 4.33 H new ATOM 0 HH11 ARG A 51 17.915 -4.442 1.505 1.00 73.15 H new ATOM 0 HH12 ARG A 51 18.545 -6.036 1.931 1.00 73.15 H new ATOM 0 HH21 ARG A 51 17.167 -6.027 5.173 1.00 0.02 H new ATOM 0 HH22 ARG A 51 18.124 -6.925 3.991 1.00 0.02 H new ATOM 712 N LEU A 52 14.814 1.050 -0.367 1.00 4.02 N ATOM 713 CA LEU A 52 14.342 1.331 -1.728 1.00 44.55 C ATOM 714 C LEU A 52 15.513 1.338 -2.691 1.00 3.14 C ATOM 715 O LEU A 52 15.553 0.580 -3.658 1.00 2.24 O ATOM 716 CB LEU A 52 13.631 2.689 -1.712 1.00 1.20 C ATOM 717 CG LEU A 52 13.501 3.487 -3.027 1.00 72.13 C ATOM 718 CD1 LEU A 52 12.880 2.731 -4.198 1.00 74.55 C ATOM 719 CD2 LEU A 52 12.659 4.726 -2.718 1.00 72.52 C ATOM 0 H LEU A 52 15.404 1.791 0.011 1.00 4.02 H new ATOM 0 HA LEU A 52 13.647 0.560 -2.062 1.00 44.55 H new ATOM 0 HB2 LEU A 52 12.625 2.528 -1.325 1.00 1.20 H new ATOM 0 HB3 LEU A 52 14.151 3.323 -0.994 1.00 1.20 H new ATOM 0 HG LEU A 52 14.512 3.721 -3.359 1.00 72.13 H new ATOM 0 HD11 LEU A 52 12.836 3.383 -5.070 1.00 74.55 H new ATOM 0 HD12 LEU A 52 13.488 1.856 -4.429 1.00 74.55 H new ATOM 0 HD13 LEU A 52 11.872 2.413 -3.932 1.00 74.55 H new ATOM 0 HD21 LEU A 52 12.542 5.321 -3.624 1.00 72.52 H new ATOM 0 HD22 LEU A 52 11.678 4.418 -2.356 1.00 72.52 H new ATOM 0 HD23 LEU A 52 13.157 5.323 -1.954 1.00 72.52 H new ATOM 730 N GLU A 53 16.460 2.236 -2.440 1.00 24.30 N ATOM 731 CA GLU A 53 17.472 2.671 -3.402 1.00 14.12 C ATOM 732 C GLU A 53 18.523 1.580 -3.693 1.00 2.23 C ATOM 733 O GLU A 53 19.427 1.782 -4.508 1.00 45.53 O ATOM 734 CB GLU A 53 18.068 3.994 -2.874 1.00 2.10 C ATOM 735 CG GLU A 53 16.980 5.053 -2.577 1.00 33.41 C ATOM 736 CD GLU A 53 17.498 6.462 -2.267 1.00 12.10 C ATOM 737 OE1 GLU A 53 17.871 6.745 -1.108 1.00 11.01 O ATOM 738 OE2 GLU A 53 17.409 7.354 -3.147 1.00 4.10 O ATOM 0 H GLU A 53 16.549 2.697 -1.534 1.00 24.30 H new ATOM 0 HA GLU A 53 17.020 2.849 -4.378 1.00 14.12 H new ATOM 0 HB2 GLU A 53 18.637 3.796 -1.965 1.00 2.10 H new ATOM 0 HB3 GLU A 53 18.768 4.392 -3.608 1.00 2.10 H new ATOM 0 HG2 GLU A 53 16.311 5.112 -3.435 1.00 33.41 H new ATOM 0 HG3 GLU A 53 16.384 4.709 -1.731 1.00 33.41 H new ATOM 743 N ASN A 54 18.369 0.410 -3.067 1.00 0.34 N ATOM 744 CA ASN A 54 19.280 -0.728 -3.035 1.00 32.22 C ATOM 745 C ASN A 54 18.548 -2.078 -3.041 1.00 3.10 C ATOM 746 O ASN A 54 19.146 -3.083 -2.662 1.00 60.43 O ATOM 747 CB ASN A 54 20.205 -0.634 -1.804 1.00 32.33 C ATOM 748 CG ASN A 54 19.550 -0.133 -0.518 1.00 1.00 C ATOM 749 OD1 ASN A 54 20.156 0.664 0.191 1.00 60.23 O ATOM 750 ND2 ASN A 54 18.318 -0.501 -0.191 1.00 12.32 N ATOM 0 H ASN A 54 17.527 0.223 -2.522 1.00 0.34 H new ATOM 0 HA ASN A 54 19.874 -0.683 -3.948 1.00 32.22 H new ATOM 0 HB2 ASN A 54 20.627 -1.621 -1.614 1.00 32.33 H new ATOM 0 HB3 ASN A 54 21.037 0.027 -2.047 1.00 32.33 H new ATOM 0 HD21 ASN A 54 17.878 -0.121 0.647 1.00 12.32 H new ATOM 0 HD22 ASN A 54 17.811 -1.163 -0.778 1.00 12.32 H new ATOM 756 N ILE A 55 17.275 -2.131 -3.427 1.00 60.31 N ATOM 757 CA ILE A 55 16.478 -3.360 -3.344 1.00 51.43 C ATOM 758 C ILE A 55 17.078 -4.541 -4.114 1.00 61.23 C ATOM 759 O ILE A 55 17.931 -4.372 -4.984 1.00 21.11 O ATOM 760 CB ILE A 55 15.028 -3.038 -3.746 1.00 40.35 C ATOM 761 CG1 ILE A 55 14.022 -4.069 -3.189 1.00 11.00 C ATOM 762 CG2 ILE A 55 14.897 -2.899 -5.269 1.00 52.11 C ATOM 763 CD1 ILE A 55 12.781 -3.369 -2.639 1.00 23.42 C ATOM 0 H ILE A 55 16.767 -1.331 -3.804 1.00 60.31 H new ATOM 0 HA ILE A 55 16.487 -3.708 -2.311 1.00 51.43 H new ATOM 0 HB ILE A 55 14.777 -2.078 -3.294 1.00 40.35 H new ATOM 0 HG12 ILE A 55 13.734 -4.766 -3.976 1.00 11.00 H new ATOM 0 HG13 ILE A 55 14.494 -4.656 -2.401 1.00 11.00 H new ATOM 0 HG21 ILE A 55 13.862 -2.671 -5.526 1.00 52.11 H new ATOM 0 HG22 ILE A 55 15.543 -2.093 -5.618 1.00 52.11 H new ATOM 0 HG23 ILE A 55 15.192 -3.833 -5.746 1.00 52.11 H new ATOM 0 HD11 ILE A 55 12.085 -4.113 -2.252 1.00 23.42 H new ATOM 0 HD12 ILE A 55 13.071 -2.691 -1.836 1.00 23.42 H new ATOM 0 HD13 ILE A 55 12.300 -2.802 -3.436 1.00 23.42 H new ATOM 774 N GLN A 56 16.614 -5.748 -3.786 1.00 51.03 N ATOM 775 CA GLN A 56 16.981 -6.984 -4.454 1.00 32.10 C ATOM 776 C GLN A 56 15.691 -7.714 -4.843 1.00 5.41 C ATOM 777 O GLN A 56 14.720 -7.632 -4.090 1.00 21.42 O ATOM 778 CB GLN A 56 17.942 -7.815 -3.629 1.00 63.24 C ATOM 779 CG GLN A 56 17.642 -7.864 -2.145 1.00 25.25 C ATOM 780 CD GLN A 56 18.419 -6.950 -1.207 1.00 64.21 C ATOM 781 OE1 GLN A 56 18.622 -7.278 -0.034 1.00 20.43 O ATOM 782 NE2 GLN A 56 18.825 -5.792 -1.674 1.00 72.22 N ATOM 0 H GLN A 56 15.952 -5.890 -3.023 1.00 51.03 H new ATOM 0 HA GLN A 56 17.540 -6.773 -5.366 1.00 32.10 H new ATOM 0 HB2 GLN A 56 17.942 -8.834 -4.017 1.00 63.24 H new ATOM 0 HB3 GLN A 56 18.949 -7.421 -3.767 1.00 63.24 H new ATOM 0 HG2 GLN A 56 16.582 -7.645 -2.016 1.00 25.25 H new ATOM 0 HG3 GLN A 56 17.799 -8.890 -1.811 1.00 25.25 H new ATOM 0 HE21 GLN A 56 18.646 -5.543 -2.647 1.00 72.22 H new ATOM 0 HE22 GLN A 56 19.320 -5.141 -1.064 1.00 72.22 H new ATOM 789 N PRO A 57 15.653 -8.487 -5.940 1.00 44.25 N ATOM 790 CA PRO A 57 14.442 -9.175 -6.386 1.00 62.25 C ATOM 791 C PRO A 57 13.972 -10.225 -5.390 1.00 34.40 C ATOM 792 O PRO A 57 12.783 -10.522 -5.318 1.00 0.24 O ATOM 793 CB PRO A 57 14.802 -9.826 -7.720 1.00 44.33 C ATOM 794 CG PRO A 57 16.323 -9.956 -7.677 1.00 13.43 C ATOM 795 CD PRO A 57 16.752 -8.747 -6.851 1.00 41.13 C ATOM 0 HA PRO A 57 13.617 -8.469 -6.480 1.00 62.25 H new ATOM 0 HB2 PRO A 57 14.322 -10.799 -7.830 1.00 44.33 H new ATOM 0 HB3 PRO A 57 14.479 -9.214 -8.562 1.00 44.33 H new ATOM 0 HG2 PRO A 57 16.634 -10.892 -7.213 1.00 13.43 H new ATOM 0 HG3 PRO A 57 16.757 -9.936 -8.676 1.00 13.43 H new ATOM 0 HD2 PRO A 57 17.673 -8.952 -6.306 1.00 41.13 H new ATOM 0 HD3 PRO A 57 16.945 -7.885 -7.489 1.00 41.13 H new ATOM 800 N ALA A 58 14.883 -10.753 -4.575 1.00 31.31 N ATOM 801 CA ALA A 58 14.514 -11.655 -3.502 1.00 71.23 C ATOM 802 C ALA A 58 13.579 -10.974 -2.501 1.00 60.42 C ATOM 803 O ALA A 58 12.653 -11.610 -2.000 1.00 60.15 O ATOM 804 CB ALA A 58 15.794 -12.122 -2.832 1.00 13.20 C ATOM 0 H ALA A 58 15.884 -10.567 -4.643 1.00 31.31 H new ATOM 0 HA ALA A 58 13.967 -12.509 -3.901 1.00 71.23 H new ATOM 0 HB1 ALA A 58 15.550 -12.804 -2.018 1.00 13.20 H new ATOM 0 HB2 ALA A 58 16.420 -12.636 -3.561 1.00 13.20 H new ATOM 0 HB3 ALA A 58 16.332 -11.261 -2.435 1.00 13.20 H new ATOM 810 N ASP A 59 13.782 -9.674 -2.261 1.00 23.10 N ATOM 811 CA ASP A 59 12.947 -8.896 -1.355 1.00 20.23 C ATOM 812 C ASP A 59 11.534 -8.739 -1.908 1.00 44.14 C ATOM 813 O ASP A 59 10.569 -8.658 -1.157 1.00 25.11 O ATOM 814 CB ASP A 59 13.553 -7.517 -1.106 1.00 42.03 C ATOM 815 CG ASP A 59 12.993 -6.865 0.153 1.00 21.14 C ATOM 816 OD1 ASP A 59 12.848 -7.550 1.192 1.00 12.50 O ATOM 817 OD2 ASP A 59 13.017 -5.617 0.219 1.00 60.42 O ATOM 0 H ASP A 59 14.533 -9.136 -2.693 1.00 23.10 H new ATOM 0 HA ASP A 59 12.897 -9.439 -0.411 1.00 20.23 H new ATOM 0 HB2 ASP A 59 14.636 -7.608 -1.016 1.00 42.03 H new ATOM 0 HB3 ASP A 59 13.357 -6.875 -1.965 1.00 42.03 H new ATOM 821 N VAL A 60 11.398 -8.759 -3.235 1.00 72.45 N ATOM 822 CA VAL A 60 10.106 -8.773 -3.897 1.00 52.14 C ATOM 823 C VAL A 60 9.486 -10.160 -3.732 1.00 12.03 C ATOM 824 O VAL A 60 8.348 -10.289 -3.273 1.00 72.22 O ATOM 825 CB VAL A 60 10.262 -8.313 -5.362 1.00 2.14 C ATOM 826 CG1 VAL A 60 8.937 -8.374 -6.126 1.00 71.14 C ATOM 827 CG2 VAL A 60 10.810 -6.874 -5.363 1.00 3.10 C ATOM 0 H VAL A 60 12.190 -8.766 -3.878 1.00 72.45 H new ATOM 0 HA VAL A 60 9.414 -8.064 -3.442 1.00 52.14 H new ATOM 0 HB VAL A 60 10.952 -8.987 -5.870 1.00 2.14 H new ATOM 0 HG11 VAL A 60 9.093 -8.042 -7.152 1.00 71.14 H new ATOM 0 HG12 VAL A 60 8.566 -9.399 -6.129 1.00 71.14 H new ATOM 0 HG13 VAL A 60 8.207 -7.725 -5.642 1.00 71.14 H new ATOM 0 HG21 VAL A 60 10.928 -6.530 -6.391 1.00 3.10 H new ATOM 0 HG22 VAL A 60 10.114 -6.219 -4.839 1.00 3.10 H new ATOM 0 HG23 VAL A 60 11.777 -6.853 -4.860 1.00 3.10 H new ATOM 837 N SER A 61 10.212 -11.216 -4.097 1.00 73.22 N ATOM 838 CA SER A 61 9.637 -12.546 -4.142 1.00 33.23 C ATOM 839 C SER A 61 9.193 -13.087 -2.792 1.00 52.45 C ATOM 840 O SER A 61 8.164 -13.761 -2.702 1.00 40.45 O ATOM 841 CB SER A 61 10.546 -13.481 -4.916 1.00 4.01 C ATOM 842 OG SER A 61 10.433 -13.124 -6.279 1.00 20.11 O ATOM 0 H SER A 61 11.195 -11.170 -4.364 1.00 73.22 H new ATOM 0 HA SER A 61 8.696 -12.473 -4.688 1.00 33.23 H new ATOM 0 HB2 SER A 61 11.577 -13.387 -4.576 1.00 4.01 H new ATOM 0 HB3 SER A 61 10.253 -14.520 -4.763 1.00 4.01 H new ATOM 0 HG SER A 61 11.009 -13.705 -6.818 1.00 20.11 H new ATOM 847 N MET A 62 9.893 -12.707 -1.737 1.00 52.33 N ATOM 848 CA MET A 62 9.591 -13.052 -0.368 1.00 2.20 C ATOM 849 C MET A 62 8.240 -12.501 0.074 1.00 41.04 C ATOM 850 O MET A 62 7.610 -13.128 0.912 1.00 72.42 O ATOM 851 CB MET A 62 10.751 -12.717 0.579 1.00 71.44 C ATOM 852 CG MET A 62 10.939 -11.235 0.900 1.00 42.35 C ATOM 853 SD MET A 62 12.286 -10.900 2.073 1.00 20.41 S ATOM 854 CE MET A 62 11.663 -11.815 3.500 1.00 21.24 C ATOM 0 H MET A 62 10.725 -12.123 -1.821 1.00 52.33 H new ATOM 0 HA MET A 62 9.486 -14.136 -0.314 1.00 2.20 H new ATOM 0 HB2 MET A 62 10.599 -13.256 1.514 1.00 71.44 H new ATOM 0 HB3 MET A 62 11.674 -13.095 0.140 1.00 71.44 H new ATOM 0 HG2 MET A 62 11.134 -10.695 -0.026 1.00 42.35 H new ATOM 0 HG3 MET A 62 10.008 -10.841 1.309 1.00 42.35 H new ATOM 0 HE1 MET A 62 11.904 -11.272 4.414 1.00 21.24 H new ATOM 0 HE2 MET A 62 10.582 -11.925 3.418 1.00 21.24 H new ATOM 0 HE3 MET A 62 12.127 -12.801 3.531 1.00 21.24 H new ATOM 862 N ILE A 63 7.741 -11.403 -0.496 1.00 31.53 N ATOM 863 CA ILE A 63 6.454 -10.817 -0.130 1.00 42.12 C ATOM 864 C ILE A 63 5.309 -11.724 -0.569 1.00 75.22 C ATOM 865 O ILE A 63 4.331 -11.867 0.170 1.00 0.00 O ATOM 866 CB ILE A 63 6.339 -9.401 -0.745 1.00 2.44 C ATOM 867 CG1 ILE A 63 7.420 -8.453 -0.188 1.00 62.23 C ATOM 868 CG2 ILE A 63 4.953 -8.783 -0.512 1.00 14.30 C ATOM 869 CD1 ILE A 63 7.668 -7.254 -1.113 1.00 15.21 C ATOM 0 H ILE A 63 8.226 -10.891 -1.233 1.00 31.53 H new ATOM 0 HA ILE A 63 6.389 -10.723 0.954 1.00 42.12 H new ATOM 0 HB ILE A 63 6.489 -9.522 -1.818 1.00 2.44 H new ATOM 0 HG12 ILE A 63 7.116 -8.095 0.795 1.00 62.23 H new ATOM 0 HG13 ILE A 63 8.350 -9.004 -0.053 1.00 62.23 H new ATOM 0 HG21 ILE A 63 4.917 -7.790 -0.960 1.00 14.30 H new ATOM 0 HG22 ILE A 63 4.191 -9.415 -0.969 1.00 14.30 H new ATOM 0 HG23 ILE A 63 4.765 -8.705 0.559 1.00 14.30 H new ATOM 0 HD11 ILE A 63 8.437 -6.614 -0.680 1.00 15.21 H new ATOM 0 HD12 ILE A 63 7.999 -7.610 -2.089 1.00 15.21 H new ATOM 0 HD13 ILE A 63 6.745 -6.686 -1.228 1.00 15.21 H new ATOM 880 N LYS A 64 5.411 -12.367 -1.735 1.00 73.24 N ATOM 881 CA LYS A 64 4.358 -13.267 -2.210 1.00 14.20 C ATOM 882 C LYS A 64 4.190 -14.460 -1.278 1.00 34.12 C ATOM 883 O LYS A 64 3.064 -14.912 -1.056 1.00 33.22 O ATOM 884 CB LYS A 64 4.621 -13.710 -3.656 1.00 61.31 C ATOM 885 CG LYS A 64 4.665 -12.528 -4.629 1.00 33.44 C ATOM 886 CD LYS A 64 6.083 -12.221 -5.108 1.00 45.03 C ATOM 887 CE LYS A 64 6.493 -13.062 -6.333 1.00 45.21 C ATOM 888 NZ LYS A 64 7.622 -12.494 -7.116 1.00 13.41 N ATOM 0 H LYS A 64 6.209 -12.282 -2.365 1.00 73.24 H new ATOM 0 HA LYS A 64 3.418 -12.716 -2.203 1.00 14.20 H new ATOM 0 HB2 LYS A 64 5.567 -14.250 -3.702 1.00 61.31 H new ATOM 0 HB3 LYS A 64 3.842 -14.405 -3.968 1.00 61.31 H new ATOM 0 HG2 LYS A 64 4.033 -12.746 -5.490 1.00 33.44 H new ATOM 0 HG3 LYS A 64 4.249 -11.645 -4.143 1.00 33.44 H new ATOM 0 HD2 LYS A 64 6.156 -11.163 -5.358 1.00 45.03 H new ATOM 0 HD3 LYS A 64 6.785 -12.406 -4.295 1.00 45.03 H new ATOM 0 HE2 LYS A 64 6.766 -14.062 -5.997 1.00 45.21 H new ATOM 0 HE3 LYS A 64 5.630 -13.171 -6.989 1.00 45.21 H new ATOM 0 HZ1 LYS A 64 7.515 -12.753 -8.118 1.00 13.41 H new ATOM 0 HZ2 LYS A 64 7.622 -11.458 -7.024 1.00 13.41 H new ATOM 0 HZ3 LYS A 64 8.520 -12.873 -6.755 1.00 13.41 H new ATOM 898 N LYS A 65 5.275 -14.916 -0.649 1.00 63.44 N ATOM 899 CA LYS A 65 5.220 -15.991 0.332 1.00 31.51 C ATOM 900 C LYS A 65 4.396 -15.623 1.561 1.00 62.44 C ATOM 901 O LYS A 65 3.911 -16.518 2.246 1.00 64.15 O ATOM 902 CB LYS A 65 6.638 -16.409 0.742 1.00 3.44 C ATOM 903 CG LYS A 65 7.288 -17.317 -0.314 1.00 53.13 C ATOM 904 CD LYS A 65 8.424 -16.583 -1.032 1.00 40.24 C ATOM 905 CE LYS A 65 9.777 -16.717 -0.311 1.00 44.34 C ATOM 906 NZ LYS A 65 9.703 -16.649 1.166 1.00 20.42 N ATOM 0 H LYS A 65 6.213 -14.548 -0.808 1.00 63.44 H new ATOM 0 HA LYS A 65 4.718 -16.833 -0.144 1.00 31.51 H new ATOM 0 HB2 LYS A 65 7.252 -15.520 0.886 1.00 3.44 H new ATOM 0 HB3 LYS A 65 6.602 -16.930 1.699 1.00 3.44 H new ATOM 0 HG2 LYS A 65 7.674 -18.218 0.162 1.00 53.13 H new ATOM 0 HG3 LYS A 65 6.538 -17.635 -1.039 1.00 53.13 H new ATOM 0 HD2 LYS A 65 8.518 -16.974 -2.045 1.00 40.24 H new ATOM 0 HD3 LYS A 65 8.168 -15.527 -1.120 1.00 40.24 H new ATOM 0 HE2 LYS A 65 10.231 -17.666 -0.595 1.00 44.34 H new ATOM 0 HE3 LYS A 65 10.441 -15.928 -0.664 1.00 44.34 H new ATOM 0 HZ1 LYS A 65 10.661 -16.714 1.565 1.00 20.42 H new ATOM 0 HZ2 LYS A 65 9.270 -15.747 1.451 1.00 20.42 H new ATOM 0 HZ3 LYS A 65 9.126 -17.438 1.521 1.00 20.42 H new ATOM 916 N GLN A 66 4.164 -14.338 1.822 1.00 2.20 N ATOM 917 CA GLN A 66 3.358 -13.909 2.954 1.00 64.54 C ATOM 918 C GLN A 66 1.886 -13.728 2.566 1.00 65.22 C ATOM 919 O GLN A 66 1.104 -13.241 3.385 1.00 14.31 O ATOM 920 CB GLN A 66 4.018 -12.698 3.632 1.00 73.31 C ATOM 921 CG GLN A 66 5.158 -13.161 4.564 1.00 1.32 C ATOM 922 CD GLN A 66 6.448 -13.411 3.805 1.00 14.12 C ATOM 923 OE1 GLN A 66 6.750 -14.529 3.418 1.00 72.33 O ATOM 924 NE2 GLN A 66 7.240 -12.377 3.554 1.00 22.42 N ATOM 0 H GLN A 66 4.529 -13.572 1.256 1.00 2.20 H new ATOM 0 HA GLN A 66 3.328 -14.693 3.711 1.00 64.54 H new ATOM 0 HB2 GLN A 66 4.411 -12.019 2.876 1.00 73.31 H new ATOM 0 HB3 GLN A 66 3.274 -12.143 4.204 1.00 73.31 H new ATOM 0 HG2 GLN A 66 5.329 -12.405 5.330 1.00 1.32 H new ATOM 0 HG3 GLN A 66 4.857 -14.074 5.078 1.00 1.32 H new ATOM 0 HE21 GLN A 66 6.982 -11.446 3.880 1.00 22.42 H new ATOM 0 HE22 GLN A 66 8.107 -12.513 3.035 1.00 22.42 H new ATOM 931 N GLY A 67 1.472 -14.173 1.374 1.00 33.34 N ATOM 932 CA GLY A 67 0.071 -14.183 0.977 1.00 62.43 C ATOM 933 C GLY A 67 -0.314 -12.885 0.300 1.00 1.43 C ATOM 934 O GLY A 67 -1.328 -12.294 0.659 1.00 4.03 O ATOM 0 H GLY A 67 2.105 -14.536 0.661 1.00 33.34 H new ATOM 0 HA2 GLY A 67 -0.112 -15.018 0.300 1.00 62.43 H new ATOM 0 HA3 GLY A 67 -0.557 -14.340 1.854 1.00 62.43 H new ATOM 938 N THR A 68 0.513 -12.433 -0.641 1.00 5.20 N ATOM 939 CA THR A 68 0.402 -11.129 -1.272 1.00 0.32 C ATOM 940 C THR A 68 0.364 -11.280 -2.796 1.00 0.43 C ATOM 941 O THR A 68 0.973 -12.203 -3.348 1.00 75.41 O ATOM 942 CB THR A 68 1.612 -10.286 -0.840 1.00 13.13 C ATOM 943 OG1 THR A 68 1.965 -10.512 0.518 1.00 34.41 O ATOM 944 CG2 THR A 68 1.345 -8.796 -1.037 1.00 23.52 C ATOM 0 H THR A 68 1.298 -12.982 -0.991 1.00 5.20 H new ATOM 0 HA THR A 68 -0.521 -10.637 -0.965 1.00 0.32 H new ATOM 0 HB THR A 68 2.442 -10.598 -1.474 1.00 13.13 H new ATOM 0 HG1 THR A 68 2.769 -11.070 0.558 1.00 34.41 H new ATOM 0 HG21 THR A 68 2.219 -8.225 -0.723 1.00 23.52 H new ATOM 0 HG22 THR A 68 1.142 -8.599 -2.090 1.00 23.52 H new ATOM 0 HG23 THR A 68 0.483 -8.499 -0.439 1.00 23.52 H new ATOM 952 N THR A 69 -0.285 -10.337 -3.477 1.00 62.21 N ATOM 953 CA THR A 69 -0.396 -10.255 -4.926 1.00 72.24 C ATOM 954 C THR A 69 -0.034 -8.840 -5.377 1.00 1.43 C ATOM 955 O THR A 69 0.118 -7.937 -4.550 1.00 22.42 O ATOM 956 CB THR A 69 -1.814 -10.658 -5.356 1.00 32.11 C ATOM 957 OG1 THR A 69 -2.781 -9.913 -4.651 1.00 34.42 O ATOM 958 CG2 THR A 69 -2.026 -12.150 -5.091 1.00 62.55 C ATOM 0 H THR A 69 -0.771 -9.573 -3.006 1.00 62.21 H new ATOM 0 HA THR A 69 0.299 -10.946 -5.404 1.00 72.24 H new ATOM 0 HB THR A 69 -1.924 -10.452 -6.421 1.00 32.11 H new ATOM 0 HG1 THR A 69 -3.677 -10.183 -4.941 1.00 34.42 H new ATOM 0 HG21 THR A 69 -3.033 -12.434 -5.397 1.00 62.55 H new ATOM 0 HG22 THR A 69 -1.297 -12.728 -5.660 1.00 62.55 H new ATOM 0 HG23 THR A 69 -1.899 -12.352 -4.027 1.00 62.55 H new ATOM 966 N LEU A 70 0.101 -8.644 -6.688 1.00 61.31 N ATOM 967 CA LEU A 70 0.440 -7.366 -7.304 1.00 73.22 C ATOM 968 C LEU A 70 -0.589 -6.285 -6.959 1.00 33.32 C ATOM 969 O LEU A 70 -0.244 -5.113 -6.799 1.00 74.25 O ATOM 970 CB LEU A 70 0.521 -7.604 -8.817 1.00 52.03 C ATOM 971 CG LEU A 70 0.890 -6.378 -9.656 1.00 13.55 C ATOM 972 CD1 LEU A 70 2.254 -5.802 -9.263 1.00 31.34 C ATOM 973 CD2 LEU A 70 0.922 -6.830 -11.117 1.00 43.54 C ATOM 0 H LEU A 70 -0.027 -9.393 -7.369 1.00 61.31 H new ATOM 0 HA LEU A 70 1.394 -7.001 -6.924 1.00 73.22 H new ATOM 0 HB2 LEU A 70 1.256 -8.387 -9.006 1.00 52.03 H new ATOM 0 HB3 LEU A 70 -0.442 -7.982 -9.160 1.00 52.03 H new ATOM 0 HG LEU A 70 0.156 -5.589 -9.491 1.00 13.55 H new ATOM 0 HD11 LEU A 70 2.475 -4.934 -9.884 1.00 31.34 H new ATOM 0 HD12 LEU A 70 2.234 -5.503 -8.215 1.00 31.34 H new ATOM 0 HD13 LEU A 70 3.025 -6.559 -9.410 1.00 31.34 H new ATOM 0 HD21 LEU A 70 1.182 -5.984 -11.754 1.00 43.54 H new ATOM 0 HD22 LEU A 70 1.666 -7.618 -11.238 1.00 43.54 H new ATOM 0 HD23 LEU A 70 -0.059 -7.210 -11.402 1.00 43.54 H new ATOM 984 N GLU A 71 -1.844 -6.698 -6.782 1.00 1.04 N ATOM 985 CA GLU A 71 -2.970 -5.886 -6.348 1.00 33.20 C ATOM 986 C GLU A 71 -2.694 -5.191 -5.014 1.00 72.43 C ATOM 987 O GLU A 71 -3.202 -4.104 -4.755 1.00 25.12 O ATOM 988 CB GLU A 71 -4.168 -6.835 -6.174 1.00 3.10 C ATOM 989 CG GLU A 71 -5.431 -6.280 -6.818 1.00 53.44 C ATOM 990 CD GLU A 71 -6.665 -7.048 -6.342 1.00 63.14 C ATOM 991 OE1 GLU A 71 -6.624 -8.301 -6.356 1.00 74.23 O ATOM 992 OE2 GLU A 71 -7.626 -6.403 -5.860 1.00 3.43 O ATOM 0 H GLU A 71 -2.113 -7.668 -6.949 1.00 1.04 H new ATOM 0 HA GLU A 71 -3.160 -5.109 -7.089 1.00 33.20 H new ATOM 0 HB2 GLU A 71 -3.931 -7.803 -6.615 1.00 3.10 H new ATOM 0 HB3 GLU A 71 -4.346 -7.004 -5.112 1.00 3.10 H new ATOM 0 HG2 GLU A 71 -5.537 -5.224 -6.571 1.00 53.44 H new ATOM 0 HG3 GLU A 71 -5.351 -6.347 -7.903 1.00 53.44 H new ATOM 997 N MET A 72 -1.922 -5.844 -4.146 1.00 53.43 N ATOM 998 CA MET A 72 -1.608 -5.346 -2.817 1.00 4.12 C ATOM 999 C MET A 72 -0.434 -4.367 -2.831 1.00 21.35 C ATOM 1000 O MET A 72 -0.139 -3.738 -1.819 1.00 0.14 O ATOM 1001 CB MET A 72 -1.250 -6.523 -1.908 1.00 14.13 C ATOM 1002 CG MET A 72 -2.078 -6.554 -0.631 1.00 15.44 C ATOM 1003 SD MET A 72 -3.807 -7.075 -0.792 1.00 24.43 S ATOM 1004 CE MET A 72 -3.593 -8.748 -1.450 1.00 3.04 C ATOM 0 H MET A 72 -1.494 -6.746 -4.354 1.00 53.43 H new ATOM 0 HA MET A 72 -2.488 -4.818 -2.449 1.00 4.12 H new ATOM 0 HB2 MET A 72 -1.396 -7.455 -2.453 1.00 14.13 H new ATOM 0 HB3 MET A 72 -0.193 -6.468 -1.649 1.00 14.13 H new ATOM 0 HG2 MET A 72 -1.586 -7.221 0.077 1.00 15.44 H new ATOM 0 HG3 MET A 72 -2.063 -5.557 -0.192 1.00 15.44 H new ATOM 0 HE1 MET A 72 -4.393 -9.390 -1.080 1.00 3.04 H new ATOM 0 HE2 MET A 72 -3.627 -8.718 -2.539 1.00 3.04 H new ATOM 0 HE3 MET A 72 -2.631 -9.145 -1.128 1.00 3.04 H new ATOM 1012 N ILE A 73 0.307 -4.299 -3.932 1.00 51.32 N ATOM 1013 CA ILE A 73 1.461 -3.425 -4.062 1.00 0.31 C ATOM 1014 C ILE A 73 0.972 -2.134 -4.708 1.00 61.12 C ATOM 1015 O ILE A 73 1.176 -1.051 -4.158 1.00 62.12 O ATOM 1016 CB ILE A 73 2.563 -4.179 -4.837 1.00 11.11 C ATOM 1017 CG1 ILE A 73 2.927 -5.522 -4.157 1.00 31.24 C ATOM 1018 CG2 ILE A 73 3.823 -3.328 -5.030 1.00 31.21 C ATOM 1019 CD1 ILE A 73 3.162 -5.468 -2.636 1.00 3.03 C ATOM 0 H ILE A 73 0.119 -4.856 -4.766 1.00 51.32 H new ATOM 0 HA ILE A 73 1.917 -3.149 -3.111 1.00 0.31 H new ATOM 0 HB ILE A 73 2.148 -4.392 -5.822 1.00 11.11 H new ATOM 0 HG12 ILE A 73 2.127 -6.235 -4.356 1.00 31.24 H new ATOM 0 HG13 ILE A 73 3.828 -5.913 -4.630 1.00 31.24 H new ATOM 0 HG21 ILE A 73 4.569 -3.902 -5.580 1.00 31.21 H new ATOM 0 HG22 ILE A 73 3.572 -2.428 -5.591 1.00 31.21 H new ATOM 0 HG23 ILE A 73 4.226 -3.048 -4.057 1.00 31.21 H new ATOM 0 HD11 ILE A 73 3.410 -6.465 -2.270 1.00 3.03 H new ATOM 0 HD12 ILE A 73 3.985 -4.787 -2.419 1.00 3.03 H new ATOM 0 HD13 ILE A 73 2.258 -5.114 -2.140 1.00 3.03 H new ATOM 1030 N THR A 74 0.256 -2.276 -5.820 1.00 73.31 N ATOM 1031 CA THR A 74 -0.379 -1.193 -6.549 1.00 74.42 C ATOM 1032 C THR A 74 -1.315 -0.385 -5.640 1.00 34.11 C ATOM 1033 O THR A 74 -1.195 0.841 -5.583 1.00 14.12 O ATOM 1034 CB THR A 74 -1.071 -1.772 -7.801 1.00 21.50 C ATOM 1035 OG1 THR A 74 -1.833 -2.930 -7.504 1.00 64.15 O ATOM 1036 CG2 THR A 74 -0.051 -2.201 -8.865 1.00 62.21 C ATOM 0 H THR A 74 0.099 -3.187 -6.251 1.00 73.31 H new ATOM 0 HA THR A 74 0.369 -0.477 -6.890 1.00 74.42 H new ATOM 0 HB THR A 74 -1.712 -0.969 -8.166 1.00 21.50 H new ATOM 0 HG1 THR A 74 -1.234 -3.699 -7.406 1.00 64.15 H new ATOM 0 HG21 THR A 74 -0.576 -2.603 -9.731 1.00 62.21 H new ATOM 0 HG22 THR A 74 0.542 -1.339 -9.169 1.00 62.21 H new ATOM 0 HG23 THR A 74 0.606 -2.966 -8.452 1.00 62.21 H new ATOM 1044 N ALA A 75 -2.174 -1.046 -4.849 1.00 24.45 N ATOM 1045 CA ALA A 75 -3.205 -0.323 -4.108 1.00 12.03 C ATOM 1046 C ALA A 75 -2.634 0.563 -2.995 1.00 24.14 C ATOM 1047 O ALA A 75 -3.287 1.529 -2.596 1.00 14.20 O ATOM 1048 CB ALA A 75 -4.220 -1.308 -3.529 1.00 43.25 C ATOM 0 H ALA A 75 -2.173 -2.057 -4.711 1.00 24.45 H new ATOM 0 HA ALA A 75 -3.696 0.343 -4.817 1.00 12.03 H new ATOM 0 HB1 ALA A 75 -4.985 -0.761 -2.978 1.00 43.25 H new ATOM 0 HB2 ALA A 75 -4.687 -1.868 -4.339 1.00 43.25 H new ATOM 0 HB3 ALA A 75 -3.713 -1.999 -2.856 1.00 43.25 H new ATOM 1054 N TRP A 76 -1.441 0.248 -2.481 1.00 22.14 N ATOM 1055 CA TRP A 76 -0.757 1.079 -1.500 1.00 54.34 C ATOM 1056 C TRP A 76 0.164 2.089 -2.183 1.00 13.41 C ATOM 1057 O TRP A 76 0.316 3.189 -1.661 1.00 13.41 O ATOM 1058 CB TRP A 76 -0.010 0.198 -0.490 1.00 12.55 C ATOM 1059 CG TRP A 76 -0.911 -0.455 0.518 1.00 60.41 C ATOM 1060 CD1 TRP A 76 -1.479 -1.678 0.402 1.00 4.05 C ATOM 1061 CD2 TRP A 76 -1.436 0.101 1.764 1.00 0.40 C ATOM 1062 NE1 TRP A 76 -2.326 -1.903 1.463 1.00 31.24 N ATOM 1063 CE2 TRP A 76 -2.337 -0.845 2.339 1.00 0.32 C ATOM 1064 CE3 TRP A 76 -1.287 1.331 2.445 1.00 13.04 C ATOM 1065 CZ2 TRP A 76 -3.073 -0.571 3.501 1.00 1.52 C ATOM 1066 CZ3 TRP A 76 -1.943 1.565 3.670 1.00 3.30 C ATOM 1067 CH2 TRP A 76 -2.869 0.641 4.174 1.00 31.44 C ATOM 0 H TRP A 76 -0.926 -0.594 -2.738 1.00 22.14 H new ATOM 0 HA TRP A 76 -1.498 1.657 -0.948 1.00 54.34 H new ATOM 0 HB2 TRP A 76 0.538 -0.574 -1.029 1.00 12.55 H new ATOM 0 HB3 TRP A 76 0.728 0.806 0.034 1.00 12.55 H new ATOM 0 HD1 TRP A 76 -1.295 -2.374 -0.403 1.00 4.05 H new ATOM 0 HE1 TRP A 76 -2.878 -2.752 1.584 1.00 31.24 H new ATOM 0 HE3 TRP A 76 -0.662 2.102 2.020 1.00 13.04 H new ATOM 0 HZ2 TRP A 76 -3.790 -1.287 3.874 1.00 1.52 H new ATOM 0 HZ3 TRP A 76 -1.730 2.466 4.227 1.00 3.30 H new ATOM 0 HH2 TRP A 76 -3.422 0.862 5.075 1.00 31.44 H new ATOM 1077 N GLN A 77 0.765 1.757 -3.329 1.00 63.12 N ATOM 1078 CA GLN A 77 1.600 2.667 -4.104 1.00 3.40 C ATOM 1079 C GLN A 77 0.829 3.946 -4.407 1.00 72.14 C ATOM 1080 O GLN A 77 1.226 5.023 -3.963 1.00 14.41 O ATOM 1081 CB GLN A 77 2.045 1.966 -5.395 1.00 43.12 C ATOM 1082 CG GLN A 77 2.779 2.869 -6.397 1.00 5.01 C ATOM 1083 CD GLN A 77 3.129 2.115 -7.675 1.00 4.50 C ATOM 1084 OE1 GLN A 77 2.849 0.931 -7.826 1.00 14.51 O ATOM 1085 NE2 GLN A 77 3.753 2.759 -8.637 1.00 54.14 N ATOM 0 H GLN A 77 0.681 0.831 -3.748 1.00 63.12 H new ATOM 0 HA GLN A 77 2.487 2.939 -3.532 1.00 3.40 H new ATOM 0 HB2 GLN A 77 2.697 1.132 -5.133 1.00 43.12 H new ATOM 0 HB3 GLN A 77 1.167 1.543 -5.884 1.00 43.12 H new ATOM 0 HG2 GLN A 77 2.154 3.728 -6.640 1.00 5.01 H new ATOM 0 HG3 GLN A 77 3.690 3.256 -5.940 1.00 5.01 H new ATOM 0 HE21 GLN A 77 3.990 3.744 -8.521 1.00 54.14 H new ATOM 0 HE22 GLN A 77 4.000 2.273 -9.499 1.00 54.14 H new ATOM 1092 N ASP A 78 -0.250 3.811 -5.174 1.00 71.45 N ATOM 1093 CA ASP A 78 -0.982 4.903 -5.794 1.00 32.41 C ATOM 1094 C ASP A 78 -1.597 5.789 -4.710 1.00 3.00 C ATOM 1095 O ASP A 78 -1.535 7.015 -4.802 1.00 65.31 O ATOM 1096 CB ASP A 78 -2.033 4.279 -6.722 1.00 0.14 C ATOM 1097 CG ASP A 78 -1.521 4.175 -8.158 1.00 4.01 C ATOM 1098 OD1 ASP A 78 -0.372 3.725 -8.365 1.00 3.53 O ATOM 1099 OD2 ASP A 78 -2.289 4.475 -9.103 1.00 42.13 O ATOM 0 H ASP A 78 -0.652 2.898 -5.387 1.00 71.45 H new ATOM 0 HA ASP A 78 -0.332 5.548 -6.385 1.00 32.41 H new ATOM 0 HB2 ASP A 78 -2.299 3.287 -6.357 1.00 0.14 H new ATOM 0 HB3 ASP A 78 -2.942 4.881 -6.701 1.00 0.14 H new ATOM 1103 N PHE A 79 -2.066 5.180 -3.613 1.00 53.22 N ATOM 1104 CA PHE A 79 -2.537 5.896 -2.434 1.00 32.32 C ATOM 1105 C PHE A 79 -1.499 6.928 -1.969 1.00 34.50 C ATOM 1106 O PHE A 79 -1.838 8.089 -1.728 1.00 64.31 O ATOM 1107 CB PHE A 79 -2.869 4.897 -1.309 1.00 22.42 C ATOM 1108 CG PHE A 79 -3.321 5.580 -0.032 1.00 2.23 C ATOM 1109 CD1 PHE A 79 -2.360 6.109 0.850 1.00 63.42 C ATOM 1110 CD2 PHE A 79 -4.690 5.761 0.241 1.00 1.24 C ATOM 1111 CE1 PHE A 79 -2.758 6.878 1.953 1.00 1.22 C ATOM 1112 CE2 PHE A 79 -5.093 6.473 1.386 1.00 24.21 C ATOM 1113 CZ PHE A 79 -4.126 7.053 2.230 1.00 60.25 C ATOM 0 H PHE A 79 -2.127 4.166 -3.524 1.00 53.22 H new ATOM 0 HA PHE A 79 -3.446 6.439 -2.694 1.00 32.32 H new ATOM 0 HB2 PHE A 79 -3.652 4.219 -1.650 1.00 22.42 H new ATOM 0 HB3 PHE A 79 -1.990 4.288 -1.099 1.00 22.42 H new ATOM 0 HD1 PHE A 79 -1.311 5.922 0.676 1.00 63.42 H new ATOM 0 HD2 PHE A 79 -5.432 5.353 -0.429 1.00 1.24 H new ATOM 0 HE1 PHE A 79 -2.015 7.336 2.589 1.00 1.22 H new ATOM 0 HE2 PHE A 79 -6.143 6.575 1.617 1.00 24.21 H new ATOM 0 HZ PHE A 79 -4.434 7.631 3.088 1.00 60.25 H new ATOM 1122 N TYR A 80 -0.241 6.511 -1.795 1.00 41.34 N ATOM 1123 CA TYR A 80 0.800 7.402 -1.297 1.00 34.53 C ATOM 1124 C TYR A 80 1.309 8.339 -2.388 1.00 44.25 C ATOM 1125 O TYR A 80 1.691 9.469 -2.089 1.00 31.14 O ATOM 1126 CB TYR A 80 1.957 6.585 -0.722 1.00 75.35 C ATOM 1127 CG TYR A 80 1.625 5.809 0.534 1.00 12.03 C ATOM 1128 CD1 TYR A 80 1.165 6.470 1.690 1.00 63.54 C ATOM 1129 CD2 TYR A 80 1.808 4.418 0.555 1.00 62.43 C ATOM 1130 CE1 TYR A 80 0.880 5.739 2.857 1.00 45.43 C ATOM 1131 CE2 TYR A 80 1.515 3.678 1.708 1.00 33.31 C ATOM 1132 CZ TYR A 80 1.048 4.336 2.868 1.00 75.14 C ATOM 1133 OH TYR A 80 0.900 3.625 4.017 1.00 54.33 O ATOM 0 H TYR A 80 0.076 5.562 -1.993 1.00 41.34 H new ATOM 0 HA TYR A 80 0.364 8.017 -0.509 1.00 34.53 H new ATOM 0 HB2 TYR A 80 2.303 5.886 -1.483 1.00 75.35 H new ATOM 0 HB3 TYR A 80 2.787 7.258 -0.507 1.00 75.35 H new ATOM 0 HD1 TYR A 80 1.031 7.542 1.680 1.00 63.54 H new ATOM 0 HD2 TYR A 80 2.178 3.913 -0.325 1.00 62.43 H new ATOM 0 HE1 TYR A 80 0.533 6.249 3.744 1.00 45.43 H new ATOM 0 HE2 TYR A 80 1.646 2.606 1.710 1.00 33.31 H new ATOM 0 HH TYR A 80 0.173 2.977 3.909 1.00 54.33 H new ATOM 1142 N GLU A 81 1.333 7.904 -3.645 1.00 74.24 N ATOM 1143 CA GLU A 81 1.618 8.733 -4.814 1.00 2.42 C ATOM 1144 C GLU A 81 0.700 9.963 -4.840 1.00 75.43 C ATOM 1145 O GLU A 81 1.175 11.080 -5.058 1.00 23.34 O ATOM 1146 CB GLU A 81 1.512 7.848 -6.069 1.00 20.11 C ATOM 1147 CG GLU A 81 2.800 7.031 -6.292 1.00 34.24 C ATOM 1148 CD GLU A 81 2.936 6.336 -7.654 1.00 21.34 C ATOM 1149 OE1 GLU A 81 2.191 6.678 -8.602 1.00 2.10 O ATOM 1150 OE2 GLU A 81 3.861 5.502 -7.806 1.00 23.54 O ATOM 0 H GLU A 81 1.148 6.930 -3.887 1.00 74.24 H new ATOM 0 HA GLU A 81 2.631 9.134 -4.776 1.00 2.42 H new ATOM 0 HB2 GLU A 81 0.663 7.172 -5.968 1.00 20.11 H new ATOM 0 HB3 GLU A 81 1.320 8.473 -6.941 1.00 20.11 H new ATOM 0 HG2 GLU A 81 3.654 7.695 -6.160 1.00 34.24 H new ATOM 0 HG3 GLU A 81 2.863 6.272 -5.512 1.00 34.24 H new ATOM 1155 N GLN A 82 -0.585 9.804 -4.516 1.00 53.04 N ATOM 1156 CA GLN A 82 -1.532 10.905 -4.436 1.00 4.12 C ATOM 1157 C GLN A 82 -1.180 11.946 -3.346 1.00 54.02 C ATOM 1158 O GLN A 82 -1.632 13.086 -3.459 1.00 5.53 O ATOM 1159 CB GLN A 82 -2.964 10.352 -4.309 1.00 25.40 C ATOM 1160 CG GLN A 82 -3.670 10.131 -5.664 1.00 34.12 C ATOM 1161 CD GLN A 82 -3.128 9.007 -6.558 1.00 54.04 C ATOM 1162 OE1 GLN A 82 -3.796 7.995 -6.753 1.00 13.53 O ATOM 1163 NE2 GLN A 82 -1.989 9.194 -7.212 1.00 4.13 N ATOM 0 H GLN A 82 -0.996 8.896 -4.301 1.00 53.04 H new ATOM 0 HA GLN A 82 -1.467 11.469 -5.367 1.00 4.12 H new ATOM 0 HB2 GLN A 82 -2.931 9.406 -3.769 1.00 25.40 H new ATOM 0 HB3 GLN A 82 -3.558 11.042 -3.709 1.00 25.40 H new ATOM 0 HG2 GLN A 82 -4.723 9.930 -5.468 1.00 34.12 H new ATOM 0 HG3 GLN A 82 -3.623 11.063 -6.226 1.00 34.12 H new ATOM 0 HE21 GLN A 82 -1.438 10.036 -7.046 1.00 4.13 H new ATOM 0 HE22 GLN A 82 -1.664 8.496 -7.881 1.00 4.13 H new ATOM 1170 N GLU A 83 -0.325 11.645 -2.357 1.00 21.13 N ATOM 1171 CA GLU A 83 0.130 12.639 -1.373 1.00 74.15 C ATOM 1172 C GLU A 83 1.120 13.630 -1.974 1.00 31.41 C ATOM 1173 O GLU A 83 1.263 14.757 -1.493 1.00 71.31 O ATOM 1174 CB GLU A 83 0.842 11.991 -0.180 1.00 71.12 C ATOM 1175 CG GLU A 83 -0.125 11.238 0.720 1.00 33.53 C ATOM 1176 CD GLU A 83 -1.071 12.226 1.426 1.00 61.52 C ATOM 1177 OE1 GLU A 83 -0.609 12.983 2.309 1.00 32.43 O ATOM 1178 OE2 GLU A 83 -2.264 12.324 1.077 1.00 32.34 O ATOM 0 H GLU A 83 0.068 10.714 -2.217 1.00 21.13 H new ATOM 0 HA GLU A 83 -0.780 13.146 -1.051 1.00 74.15 H new ATOM 0 HB2 GLU A 83 1.608 11.306 -0.543 1.00 71.12 H new ATOM 0 HB3 GLU A 83 1.352 12.761 0.399 1.00 71.12 H new ATOM 0 HG2 GLU A 83 -0.704 10.527 0.130 1.00 33.53 H new ATOM 0 HG3 GLU A 83 0.429 10.661 1.460 1.00 33.53 H new ATOM 1183 N GLN A 84 1.842 13.197 -2.999 1.00 33.15 N ATOM 1184 CA GLN A 84 2.950 13.964 -3.535 1.00 13.51 C ATOM 1185 C GLN A 84 2.442 15.015 -4.511 1.00 24.44 C ATOM 1186 O GLN A 84 2.918 16.147 -4.476 1.00 0.00 O ATOM 1187 CB GLN A 84 3.961 12.999 -4.145 1.00 73.41 C ATOM 1188 CG GLN A 84 4.683 12.268 -3.005 1.00 12.50 C ATOM 1189 CD GLN A 84 5.031 10.862 -3.432 1.00 41.22 C ATOM 1190 OE1 GLN A 84 6.002 10.651 -4.146 1.00 40.24 O ATOM 1191 NE2 GLN A 84 4.282 9.867 -2.988 1.00 13.20 N ATOM 0 H GLN A 84 1.675 12.311 -3.476 1.00 33.15 H new ATOM 0 HA GLN A 84 3.460 14.517 -2.746 1.00 13.51 H new ATOM 0 HB2 GLN A 84 3.458 12.284 -4.795 1.00 73.41 H new ATOM 0 HB3 GLN A 84 4.678 13.541 -4.762 1.00 73.41 H new ATOM 0 HG2 GLN A 84 5.589 12.809 -2.732 1.00 12.50 H new ATOM 0 HG3 GLN A 84 4.048 12.241 -2.119 1.00 12.50 H new ATOM 0 HE21 GLN A 84 3.476 10.061 -2.394 1.00 13.20 H new ATOM 0 HE22 GLN A 84 4.510 8.905 -3.240 1.00 13.20 H new ATOM 1198 N GLN A 85 1.420 14.687 -5.309 1.00 14.24 N ATOM 1199 CA GLN A 85 0.774 15.696 -6.138 1.00 34.43 C ATOM 1200 C GLN A 85 0.239 16.837 -5.262 1.00 31.50 C ATOM 1201 O GLN A 85 0.499 18.006 -5.571 1.00 22.54 O ATOM 1202 CB GLN A 85 -0.284 15.090 -7.079 1.00 15.23 C ATOM 1203 CG GLN A 85 -1.356 14.233 -6.387 1.00 40.33 C ATOM 1204 CD GLN A 85 -2.594 13.983 -7.246 1.00 32.34 C ATOM 1205 OE1 GLN A 85 -2.565 14.041 -8.473 1.00 13.23 O ATOM 1206 NE2 GLN A 85 -3.721 13.681 -6.627 1.00 74.23 N ATOM 0 H GLN A 85 1.032 13.748 -5.394 1.00 14.24 H new ATOM 0 HA GLN A 85 1.520 16.128 -6.805 1.00 34.43 H new ATOM 0 HB2 GLN A 85 -0.778 15.900 -7.615 1.00 15.23 H new ATOM 0 HB3 GLN A 85 0.223 14.478 -7.825 1.00 15.23 H new ATOM 0 HG2 GLN A 85 -0.918 13.274 -6.109 1.00 40.33 H new ATOM 0 HG3 GLN A 85 -1.660 14.724 -5.463 1.00 40.33 H new ATOM 0 HE21 GLN A 85 -3.746 13.633 -5.608 1.00 74.23 H new ATOM 0 HE22 GLN A 85 -4.566 13.496 -7.168 1.00 74.23 H new ATOM 1213 N ARG A 86 -0.435 16.520 -4.144 1.00 44.25 N ATOM 1214 CA ARG A 86 -1.022 17.532 -3.268 1.00 33.52 C ATOM 1215 C ARG A 86 0.029 18.349 -2.530 1.00 44.25 C ATOM 1216 O ARG A 86 -0.242 19.527 -2.283 1.00 12.54 O ATOM 1217 CB ARG A 86 -2.058 16.946 -2.290 1.00 23.44 C ATOM 1218 CG ARG A 86 -1.473 15.884 -1.361 1.00 13.20 C ATOM 1219 CD ARG A 86 -2.443 15.321 -0.316 1.00 60.11 C ATOM 1220 NE ARG A 86 -2.740 16.323 0.714 1.00 34.52 N ATOM 1221 CZ ARG A 86 -1.896 16.675 1.691 1.00 2.35 C ATOM 1222 NH1 ARG A 86 -0.919 15.872 2.121 1.00 11.25 N ATOM 1223 NH2 ARG A 86 -2.009 17.882 2.229 1.00 52.11 N ATOM 0 H ARG A 86 -0.584 15.561 -3.829 1.00 44.25 H new ATOM 0 HA ARG A 86 -1.556 18.214 -3.930 1.00 33.52 H new ATOM 0 HB2 ARG A 86 -2.479 17.753 -1.690 1.00 23.44 H new ATOM 0 HB3 ARG A 86 -2.879 16.510 -2.859 1.00 23.44 H new ATOM 0 HG2 ARG A 86 -1.100 15.059 -1.968 1.00 13.20 H new ATOM 0 HG3 ARG A 86 -0.615 16.311 -0.843 1.00 13.20 H new ATOM 0 HD2 ARG A 86 -3.367 15.008 -0.802 1.00 60.11 H new ATOM 0 HD3 ARG A 86 -2.011 14.434 0.147 1.00 60.11 H new ATOM 0 HE ARG A 86 -3.650 16.782 0.683 1.00 34.52 H new ATOM 0 HH11 ARG A 86 -0.794 14.951 1.702 1.00 11.25 H new ATOM 0 HH12 ARG A 86 -0.298 16.180 2.869 1.00 11.25 H new ATOM 0 HH21 ARG A 86 -2.730 18.523 1.897 1.00 52.11 H new ATOM 0 HH22 ARG A 86 -1.375 18.169 2.975 1.00 52.11 H new ATOM 1234 N ASN A 87 1.186 17.797 -2.139 1.00 44.12 N ATOM 1235 CA ASN A 87 2.206 18.562 -1.457 1.00 12.21 C ATOM 1236 C ASN A 87 3.590 17.938 -1.594 1.00 11.00 C ATOM 1237 O ASN A 87 3.770 16.726 -1.550 1.00 3.02 O ATOM 1238 CB ASN A 87 1.847 18.777 0.017 1.00 14.15 C ATOM 1239 CG ASN A 87 2.391 17.749 0.995 1.00 40.42 C ATOM 1240 OD1 ASN A 87 1.962 16.510 0.884 1.00 60.31 O flip ATOM 1241 ND2 ASN A 87 3.185 18.098 1.867 1.00 31.44 N flip ATOM 0 H ASN A 87 1.427 16.818 -2.290 1.00 44.12 H new ATOM 0 HA ASN A 87 2.245 19.536 -1.946 1.00 12.21 H new ATOM 0 HB2 ASN A 87 2.207 19.761 0.318 1.00 14.15 H new ATOM 0 HB3 ASN A 87 0.761 18.794 0.106 1.00 14.15 H new ATOM 0 HD21 ASN A 87 3.492 19.069 1.918 1.00 31.44 H new ATOM 0 HD22 ASN A 87 3.536 17.416 2.539 1.00 31.44 H new ATOM 1247 N GLU A 88 4.584 18.809 -1.692 1.00 11.22 N ATOM 1248 CA GLU A 88 5.979 18.472 -1.954 1.00 72.42 C ATOM 1249 C GLU A 88 6.751 18.028 -0.704 1.00 11.10 C ATOM 1250 O GLU A 88 7.925 17.665 -0.812 1.00 33.40 O ATOM 1251 CB GLU A 88 6.667 19.704 -2.578 1.00 41.45 C ATOM 1252 CG GLU A 88 6.676 19.676 -4.108 1.00 12.40 C ATOM 1253 CD GLU A 88 7.774 18.763 -4.666 1.00 0.40 C ATOM 1254 OE1 GLU A 88 7.825 17.559 -4.312 1.00 0.25 O ATOM 1255 OE2 GLU A 88 8.646 19.251 -5.419 1.00 72.24 O ATOM 0 H GLU A 88 4.436 19.813 -1.587 1.00 11.22 H new ATOM 0 HA GLU A 88 5.987 17.619 -2.633 1.00 72.42 H new ATOM 0 HB2 GLU A 88 6.158 20.607 -2.240 1.00 41.45 H new ATOM 0 HB3 GLU A 88 7.693 19.762 -2.216 1.00 41.45 H new ATOM 0 HG2 GLU A 88 5.705 19.336 -4.469 1.00 12.40 H new ATOM 0 HG3 GLU A 88 6.820 20.688 -4.487 1.00 12.40 H new ATOM 1260 N ASN A 89 6.162 18.093 0.492 1.00 44.34 N ATOM 1261 CA ASN A 89 6.896 18.038 1.764 1.00 42.51 C ATOM 1262 C ASN A 89 6.774 16.690 2.479 1.00 71.13 C ATOM 1263 O ASN A 89 7.004 16.631 3.688 1.00 41.21 O ATOM 1264 CB ASN A 89 6.488 19.233 2.656 1.00 53.34 C ATOM 1265 CG ASN A 89 7.455 20.398 2.526 1.00 73.52 C ATOM 1266 OD1 ASN A 89 7.966 20.930 3.499 1.00 21.12 O ATOM 1267 ND2 ASN A 89 7.756 20.831 1.314 1.00 5.01 N ATOM 0 H ASN A 89 5.153 18.186 0.609 1.00 44.34 H new ATOM 0 HA ASN A 89 7.959 18.127 1.539 1.00 42.51 H new ATOM 0 HB2 ASN A 89 5.485 19.562 2.384 1.00 53.34 H new ATOM 0 HB3 ASN A 89 6.446 18.911 3.697 1.00 53.34 H new ATOM 0 HD21 ASN A 89 8.411 21.604 1.197 1.00 5.01 H new ATOM 0 HD22 ASN A 89 7.333 20.392 0.496 1.00 5.01 H new ATOM 1273 N ASN A 90 6.426 15.612 1.762 1.00 51.21 N ATOM 1274 CA ASN A 90 5.803 14.414 2.327 1.00 31.41 C ATOM 1275 C ASN A 90 6.639 13.137 2.108 1.00 15.40 C ATOM 1276 O ASN A 90 6.213 12.196 1.430 1.00 40.21 O ATOM 1277 CB ASN A 90 4.397 14.313 1.712 1.00 52.54 C ATOM 1278 CG ASN A 90 3.308 13.748 2.609 1.00 43.35 C ATOM 1279 OD1 ASN A 90 3.553 12.746 3.429 1.00 22.31 O flip ATOM 1280 ND2 ASN A 90 2.186 14.233 2.555 1.00 43.33 N flip ATOM 0 H ASN A 90 6.574 15.551 0.755 1.00 51.21 H new ATOM 0 HA ASN A 90 5.740 14.502 3.412 1.00 31.41 H new ATOM 0 HB2 ASN A 90 4.092 15.309 1.390 1.00 52.54 H new ATOM 0 HB3 ASN A 90 4.459 13.693 0.817 1.00 52.54 H new ATOM 0 HD21 ASN A 90 1.996 15.009 1.921 1.00 43.33 H new ATOM 0 HD22 ASN A 90 1.441 13.862 3.145 1.00 43.33 H new ATOM 1286 N PRO A 91 7.836 13.058 2.708 1.00 42.41 N ATOM 1287 CA PRO A 91 8.821 12.012 2.463 1.00 42.23 C ATOM 1288 C PRO A 91 8.347 10.625 2.909 1.00 13.30 C ATOM 1289 O PRO A 91 8.732 9.637 2.286 1.00 14.35 O ATOM 1290 CB PRO A 91 10.071 12.455 3.235 1.00 23.41 C ATOM 1291 CG PRO A 91 9.487 13.308 4.362 1.00 0.32 C ATOM 1292 CD PRO A 91 8.344 14.004 3.674 1.00 43.13 C ATOM 0 HA PRO A 91 9.010 11.900 1.395 1.00 42.23 H new ATOM 0 HB2 PRO A 91 10.631 11.603 3.621 1.00 23.41 H new ATOM 0 HB3 PRO A 91 10.753 13.027 2.606 1.00 23.41 H new ATOM 0 HG2 PRO A 91 9.148 12.699 5.200 1.00 0.32 H new ATOM 0 HG3 PRO A 91 10.216 14.015 4.757 1.00 0.32 H new ATOM 0 HD2 PRO A 91 7.571 14.288 4.388 1.00 43.13 H new ATOM 0 HD3 PRO A 91 8.679 14.920 3.187 1.00 43.13 H new ATOM 1297 N THR A 92 7.516 10.527 3.952 1.00 11.43 N ATOM 1298 CA THR A 92 6.965 9.270 4.432 1.00 11.14 C ATOM 1299 C THR A 92 6.215 8.580 3.298 1.00 21.42 C ATOM 1300 O THR A 92 6.552 7.439 2.979 1.00 5.04 O ATOM 1301 CB THR A 92 6.078 9.470 5.680 1.00 12.13 C ATOM 1302 OG1 THR A 92 6.713 10.274 6.665 1.00 42.13 O ATOM 1303 CG2 THR A 92 5.759 8.112 6.299 1.00 61.53 C ATOM 0 H THR A 92 7.207 11.336 4.490 1.00 11.43 H new ATOM 0 HA THR A 92 7.784 8.625 4.749 1.00 11.14 H new ATOM 0 HB THR A 92 5.170 9.977 5.355 1.00 12.13 H new ATOM 0 HG1 THR A 92 6.118 10.377 7.437 1.00 42.13 H new ATOM 0 HG21 THR A 92 5.133 8.252 7.180 1.00 61.53 H new ATOM 0 HG22 THR A 92 5.230 7.496 5.572 1.00 61.53 H new ATOM 0 HG23 THR A 92 6.686 7.617 6.588 1.00 61.53 H new ATOM 1311 N ALA A 93 5.241 9.268 2.689 1.00 40.35 N ATOM 1312 CA ALA A 93 4.462 8.768 1.564 1.00 23.43 C ATOM 1313 C ALA A 93 5.370 8.552 0.346 1.00 21.13 C ATOM 1314 O ALA A 93 5.280 7.532 -0.335 1.00 75.32 O ATOM 1315 CB ALA A 93 3.351 9.774 1.250 1.00 41.31 C ATOM 0 H ALA A 93 4.971 10.209 2.976 1.00 40.35 H new ATOM 0 HA ALA A 93 4.014 7.807 1.817 1.00 23.43 H new ATOM 0 HB1 ALA A 93 2.759 9.412 0.409 1.00 41.31 H new ATOM 0 HB2 ALA A 93 2.708 9.890 2.123 1.00 41.31 H new ATOM 0 HB3 ALA A 93 3.794 10.737 0.995 1.00 41.31 H new ATOM 1321 N LYS A 94 6.276 9.496 0.086 1.00 42.13 N ATOM 1322 CA LYS A 94 7.161 9.467 -1.071 1.00 71.43 C ATOM 1323 C LYS A 94 8.004 8.204 -1.133 1.00 63.42 C ATOM 1324 O LYS A 94 7.899 7.448 -2.096 1.00 11.02 O ATOM 1325 CB LYS A 94 7.987 10.752 -1.083 1.00 51.53 C ATOM 1326 CG LYS A 94 8.834 10.898 -2.349 1.00 71.54 C ATOM 1327 CD LYS A 94 9.128 12.370 -2.641 1.00 34.10 C ATOM 1328 CE LYS A 94 10.006 12.965 -1.535 1.00 22.41 C ATOM 1329 NZ LYS A 94 10.586 14.261 -1.924 1.00 64.25 N ATOM 0 H LYS A 94 6.415 10.311 0.683 1.00 42.13 H new ATOM 0 HA LYS A 94 6.564 9.430 -1.982 1.00 71.43 H new ATOM 0 HB2 LYS A 94 7.319 11.609 -0.997 1.00 51.53 H new ATOM 0 HB3 LYS A 94 8.640 10.768 -0.210 1.00 51.53 H new ATOM 0 HG2 LYS A 94 9.770 10.352 -2.230 1.00 71.54 H new ATOM 0 HG3 LYS A 94 8.311 10.453 -3.195 1.00 71.54 H new ATOM 0 HD2 LYS A 94 9.630 12.464 -3.604 1.00 34.10 H new ATOM 0 HD3 LYS A 94 8.194 12.927 -2.713 1.00 34.10 H new ATOM 0 HE2 LYS A 94 9.412 13.091 -0.630 1.00 22.41 H new ATOM 0 HE3 LYS A 94 10.808 12.267 -1.295 1.00 22.41 H new ATOM 0 HZ1 LYS A 94 11.172 14.626 -1.146 1.00 64.25 H new ATOM 0 HZ2 LYS A 94 11.174 14.137 -2.773 1.00 64.25 H new ATOM 0 HZ3 LYS A 94 9.822 14.936 -2.128 1.00 64.25 H new ATOM 1339 N TYR A 95 8.848 7.964 -0.131 1.00 31.41 N ATOM 1340 CA TYR A 95 9.765 6.835 -0.177 1.00 3.33 C ATOM 1341 C TYR A 95 9.002 5.519 -0.317 1.00 42.02 C ATOM 1342 O TYR A 95 9.418 4.660 -1.096 1.00 13.23 O ATOM 1343 CB TYR A 95 10.665 6.843 1.068 1.00 20.40 C ATOM 1344 CG TYR A 95 11.802 7.847 1.017 1.00 22.24 C ATOM 1345 CD1 TYR A 95 12.772 7.726 0.007 1.00 24.23 C ATOM 1346 CD2 TYR A 95 11.938 8.855 1.992 1.00 40.14 C ATOM 1347 CE1 TYR A 95 13.875 8.589 -0.034 1.00 0.31 C ATOM 1348 CE2 TYR A 95 13.046 9.725 1.964 1.00 64.52 C ATOM 1349 CZ TYR A 95 14.027 9.585 0.955 1.00 42.25 C ATOM 1350 OH TYR A 95 15.141 10.370 0.962 1.00 74.24 O ATOM 0 H TYR A 95 8.913 8.532 0.714 1.00 31.41 H new ATOM 0 HA TYR A 95 10.402 6.929 -1.056 1.00 3.33 H new ATOM 0 HB2 TYR A 95 10.051 7.053 1.943 1.00 20.40 H new ATOM 0 HB3 TYR A 95 11.084 5.846 1.204 1.00 20.40 H new ATOM 0 HD1 TYR A 95 12.666 6.959 -0.746 1.00 24.23 H new ATOM 0 HD2 TYR A 95 11.190 8.961 2.764 1.00 40.14 H new ATOM 0 HE1 TYR A 95 14.608 8.492 -0.821 1.00 0.31 H new ATOM 0 HE2 TYR A 95 13.146 10.498 2.712 1.00 64.52 H new ATOM 0 HH TYR A 95 15.089 11.005 1.707 1.00 74.24 H new ATOM 1359 N ARG A 96 7.888 5.332 0.401 1.00 51.31 N ATOM 1360 CA ARG A 96 7.122 4.104 0.264 1.00 72.42 C ATOM 1361 C ARG A 96 6.461 3.947 -1.104 1.00 1.50 C ATOM 1362 O ARG A 96 6.518 2.840 -1.617 1.00 54.24 O ATOM 1363 CB ARG A 96 6.147 3.904 1.410 1.00 5.23 C ATOM 1364 CG ARG A 96 5.081 4.986 1.509 1.00 24.14 C ATOM 1365 CD ARG A 96 4.277 4.897 2.799 1.00 42.03 C ATOM 1366 NE ARG A 96 5.091 5.017 4.009 1.00 72.32 N ATOM 1367 CZ ARG A 96 4.625 4.900 5.255 1.00 13.43 C ATOM 1368 NH1 ARG A 96 3.324 4.837 5.512 1.00 31.53 N ATOM 1369 NH2 ARG A 96 5.493 4.834 6.249 1.00 0.42 N ATOM 0 H ARG A 96 7.509 6.005 1.068 1.00 51.31 H new ATOM 0 HA ARG A 96 7.849 3.294 0.326 1.00 72.42 H new ATOM 0 HB2 ARG A 96 5.659 2.936 1.294 1.00 5.23 H new ATOM 0 HB3 ARG A 96 6.704 3.870 2.346 1.00 5.23 H new ATOM 0 HG2 ARG A 96 5.555 5.965 1.447 1.00 24.14 H new ATOM 0 HG3 ARG A 96 4.405 4.905 0.657 1.00 24.14 H new ATOM 0 HD2 ARG A 96 3.521 5.683 2.801 1.00 42.03 H new ATOM 0 HD3 ARG A 96 3.747 3.945 2.821 1.00 42.03 H new ATOM 0 HE ARG A 96 6.087 5.204 3.892 1.00 72.32 H new ATOM 0 HH11 ARG A 96 2.650 4.878 4.747 1.00 31.53 H new ATOM 0 HH12 ARG A 96 2.998 4.748 6.474 1.00 31.53 H new ATOM 0 HH21 ARG A 96 6.494 4.873 6.056 1.00 0.42 H new ATOM 0 HH22 ARG A 96 5.162 4.744 7.210 1.00 0.42 H new ATOM 1380 N ALA A 97 5.876 4.982 -1.714 1.00 3.40 N ATOM 1381 CA ALA A 97 5.272 4.882 -3.041 1.00 1.30 C ATOM 1382 C ALA A 97 6.317 4.356 -4.023 1.00 5.01 C ATOM 1383 O ALA A 97 6.155 3.285 -4.607 1.00 45.11 O ATOM 1384 CB ALA A 97 4.778 6.267 -3.469 1.00 24.10 C ATOM 0 H ALA A 97 5.809 5.912 -1.300 1.00 3.40 H new ATOM 0 HA ALA A 97 4.425 4.196 -3.025 1.00 1.30 H new ATOM 0 HB1 ALA A 97 4.326 6.202 -4.459 1.00 24.10 H new ATOM 0 HB2 ALA A 97 4.038 6.626 -2.754 1.00 24.10 H new ATOM 0 HB3 ALA A 97 5.619 6.960 -3.499 1.00 24.10 H new ATOM 1390 N ARG A 98 7.437 5.076 -4.120 1.00 33.25 N ATOM 1391 CA ARG A 98 8.571 4.731 -4.968 1.00 13.14 C ATOM 1392 C ARG A 98 9.095 3.311 -4.723 1.00 54.12 C ATOM 1393 O ARG A 98 9.541 2.647 -5.664 1.00 3.20 O ATOM 1394 CB ARG A 98 9.647 5.814 -4.763 1.00 11.34 C ATOM 1395 CG ARG A 98 9.622 6.854 -5.894 1.00 53.02 C ATOM 1396 CD ARG A 98 10.275 8.165 -5.444 1.00 0.31 C ATOM 1397 NE ARG A 98 10.534 9.080 -6.571 1.00 34.14 N ATOM 1398 CZ ARG A 98 11.002 10.331 -6.479 1.00 73.22 C ATOM 1399 NH1 ARG A 98 11.028 10.941 -5.298 1.00 2.24 N ATOM 1400 NH2 ARG A 98 11.468 10.951 -7.559 1.00 2.42 N ATOM 0 H ARG A 98 7.580 5.938 -3.594 1.00 33.25 H new ATOM 0 HA ARG A 98 8.258 4.715 -6.012 1.00 13.14 H new ATOM 0 HB2 ARG A 98 9.487 6.311 -3.806 1.00 11.34 H new ATOM 0 HB3 ARG A 98 10.631 5.347 -4.718 1.00 11.34 H new ATOM 0 HG2 ARG A 98 10.146 6.462 -6.766 1.00 53.02 H new ATOM 0 HG3 ARG A 98 8.592 7.041 -6.199 1.00 53.02 H new ATOM 0 HD2 ARG A 98 9.628 8.660 -4.719 1.00 0.31 H new ATOM 0 HD3 ARG A 98 11.214 7.944 -4.936 1.00 0.31 H new ATOM 0 HE ARG A 98 10.338 8.727 -7.508 1.00 34.14 H new ATOM 0 HH11 ARG A 98 10.692 10.456 -4.466 1.00 2.24 H new ATOM 0 HH12 ARG A 98 11.384 11.894 -5.224 1.00 2.24 H new ATOM 0 HH21 ARG A 98 11.469 10.474 -8.460 1.00 2.42 H new ATOM 0 HH22 ARG A 98 11.824 11.904 -7.486 1.00 2.42 H new ATOM 1411 N LEU A 99 9.052 2.840 -3.474 1.00 31.53 N ATOM 1412 CA LEU A 99 9.361 1.465 -3.088 1.00 2.32 C ATOM 1413 C LEU A 99 8.345 0.492 -3.673 1.00 11.41 C ATOM 1414 O LEU A 99 8.740 -0.380 -4.437 1.00 51.03 O ATOM 1415 CB LEU A 99 9.501 1.383 -1.558 1.00 54.41 C ATOM 1416 CG LEU A 99 9.732 -0.013 -0.959 1.00 1.45 C ATOM 1417 CD1 LEU A 99 10.820 -0.799 -1.680 1.00 0.43 C ATOM 1418 CD2 LEU A 99 10.139 0.168 0.511 1.00 23.24 C ATOM 0 H LEU A 99 8.793 3.425 -2.680 1.00 31.53 H new ATOM 0 HA LEU A 99 10.319 1.162 -3.510 1.00 2.32 H new ATOM 0 HB2 LEU A 99 10.330 2.023 -1.258 1.00 54.41 H new ATOM 0 HB3 LEU A 99 8.598 1.800 -1.111 1.00 54.41 H new ATOM 0 HG LEU A 99 8.808 -0.582 -1.064 1.00 1.45 H new ATOM 0 HD11 LEU A 99 10.935 -1.776 -1.210 1.00 0.43 H new ATOM 0 HD12 LEU A 99 10.542 -0.930 -2.726 1.00 0.43 H new ATOM 0 HD13 LEU A 99 11.762 -0.254 -1.621 1.00 0.43 H new ATOM 0 HD21 LEU A 99 10.310 -0.809 0.964 1.00 23.24 H new ATOM 0 HD22 LEU A 99 11.054 0.759 0.565 1.00 23.24 H new ATOM 0 HD23 LEU A 99 9.342 0.683 1.048 1.00 23.24 H new ATOM 1429 N MET A 100 7.058 0.640 -3.359 1.00 44.51 N ATOM 1430 CA MET A 100 6.009 -0.242 -3.866 1.00 52.21 C ATOM 1431 C MET A 100 6.056 -0.321 -5.403 1.00 4.21 C ATOM 1432 O MET A 100 5.997 -1.415 -5.956 1.00 62.22 O ATOM 1433 CB MET A 100 4.621 0.196 -3.369 1.00 42.14 C ATOM 1434 CG MET A 100 4.430 0.361 -1.851 1.00 64.22 C ATOM 1435 SD MET A 100 5.208 -0.832 -0.722 1.00 40.23 S ATOM 1436 CE MET A 100 4.046 -2.208 -0.882 1.00 35.22 C ATOM 0 H MET A 100 6.714 1.377 -2.744 1.00 44.51 H new ATOM 0 HA MET A 100 6.193 -1.242 -3.474 1.00 52.21 H new ATOM 0 HB2 MET A 100 4.378 1.147 -3.844 1.00 42.14 H new ATOM 0 HB3 MET A 100 3.892 -0.533 -3.723 1.00 42.14 H new ATOM 0 HG2 MET A 100 4.793 1.353 -1.581 1.00 64.22 H new ATOM 0 HG3 MET A 100 3.358 0.349 -1.652 1.00 64.22 H new ATOM 0 HE1 MET A 100 4.544 -3.138 -0.608 1.00 35.22 H new ATOM 0 HE2 MET A 100 3.195 -2.044 -0.221 1.00 35.22 H new ATOM 0 HE3 MET A 100 3.698 -2.272 -1.913 1.00 35.22 H new ATOM 1444 N LYS A 101 6.272 0.805 -6.095 1.00 31.23 N ATOM 1445 CA LYS A 101 6.456 0.847 -7.548 1.00 20.55 C ATOM 1446 C LYS A 101 7.544 -0.130 -7.996 1.00 2.53 C ATOM 1447 O LYS A 101 7.331 -0.986 -8.845 1.00 0.55 O ATOM 1448 CB LYS A 101 6.764 2.299 -7.966 1.00 51.42 C ATOM 1449 CG LYS A 101 6.621 2.516 -9.483 1.00 12.24 C ATOM 1450 CD LYS A 101 7.885 2.212 -10.278 1.00 34.21 C ATOM 1451 CE LYS A 101 8.469 3.459 -10.947 1.00 2.23 C ATOM 1452 NZ LYS A 101 9.886 3.256 -11.308 1.00 13.40 N ATOM 0 H LYS A 101 6.324 1.723 -5.654 1.00 31.23 H new ATOM 0 HA LYS A 101 5.541 0.528 -8.046 1.00 20.55 H new ATOM 0 HB2 LYS A 101 6.091 2.976 -7.440 1.00 51.42 H new ATOM 0 HB3 LYS A 101 7.778 2.555 -7.659 1.00 51.42 H new ATOM 0 HG2 LYS A 101 5.812 1.887 -9.854 1.00 12.24 H new ATOM 0 HG3 LYS A 101 6.330 3.551 -9.665 1.00 12.24 H new ATOM 0 HD2 LYS A 101 8.632 1.776 -9.615 1.00 34.21 H new ATOM 0 HD3 LYS A 101 7.661 1.466 -11.040 1.00 34.21 H new ATOM 0 HE2 LYS A 101 7.894 3.699 -11.841 1.00 2.23 H new ATOM 0 HE3 LYS A 101 8.381 4.311 -10.273 1.00 2.23 H new ATOM 0 HZ1 LYS A 101 10.256 4.117 -11.759 1.00 13.40 H new ATOM 0 HZ2 LYS A 101 10.437 3.051 -10.450 1.00 13.40 H new ATOM 0 HZ3 LYS A 101 9.965 2.457 -11.969 1.00 13.40 H new ATOM 1462 N LYS A 102 8.728 0.003 -7.407 1.00 31.35 N ATOM 1463 CA LYS A 102 9.883 -0.859 -7.668 1.00 41.01 C ATOM 1464 C LYS A 102 9.603 -2.322 -7.340 1.00 55.01 C ATOM 1465 O LYS A 102 10.203 -3.212 -7.937 1.00 3.02 O ATOM 1466 CB LYS A 102 11.072 -0.382 -6.836 1.00 65.24 C ATOM 1467 CG LYS A 102 12.373 -0.607 -7.604 1.00 11.43 C ATOM 1468 CD LYS A 102 13.535 0.071 -6.878 1.00 43.45 C ATOM 1469 CE LYS A 102 14.843 -0.384 -7.516 1.00 34.34 C ATOM 1470 NZ LYS A 102 15.056 0.187 -8.856 1.00 4.02 N ATOM 0 H LYS A 102 8.919 0.730 -6.718 1.00 31.35 H new ATOM 0 HA LYS A 102 10.103 -0.793 -8.733 1.00 41.01 H new ATOM 0 HB2 LYS A 102 10.959 0.676 -6.599 1.00 65.24 H new ATOM 0 HB3 LYS A 102 11.102 -0.920 -5.888 1.00 65.24 H new ATOM 0 HG2 LYS A 102 12.568 -1.675 -7.700 1.00 11.43 H new ATOM 0 HG3 LYS A 102 12.282 -0.207 -8.614 1.00 11.43 H new ATOM 0 HD2 LYS A 102 13.440 1.155 -6.943 1.00 43.45 H new ATOM 0 HD3 LYS A 102 13.521 -0.187 -5.819 1.00 43.45 H new ATOM 0 HE2 LYS A 102 15.674 -0.101 -6.870 1.00 34.34 H new ATOM 0 HE3 LYS A 102 14.849 -1.472 -7.585 1.00 34.34 H new ATOM 0 HZ1 LYS A 102 15.959 -0.157 -9.240 1.00 4.02 H new ATOM 0 HZ2 LYS A 102 14.280 -0.103 -9.484 1.00 4.02 H new ATOM 0 HZ3 LYS A 102 15.080 1.225 -8.791 1.00 4.02 H new ATOM 1480 N ILE A 103 8.764 -2.603 -6.350 1.00 72.54 N ATOM 1481 CA ILE A 103 8.411 -3.965 -5.994 1.00 41.03 C ATOM 1482 C ILE A 103 7.632 -4.580 -7.162 1.00 43.23 C ATOM 1483 O ILE A 103 7.953 -5.697 -7.561 1.00 25.41 O ATOM 1484 CB ILE A 103 7.716 -3.986 -4.612 1.00 55.41 C ATOM 1485 CG1 ILE A 103 8.773 -3.672 -3.528 1.00 43.22 C ATOM 1486 CG2 ILE A 103 7.026 -5.319 -4.296 1.00 33.41 C ATOM 1487 CD1 ILE A 103 8.186 -3.387 -2.147 1.00 3.00 C ATOM 0 H ILE A 103 8.312 -1.892 -5.775 1.00 72.54 H new ATOM 0 HA ILE A 103 9.283 -4.604 -5.855 1.00 41.03 H new ATOM 0 HB ILE A 103 6.928 -3.233 -4.628 1.00 55.41 H new ATOM 0 HG12 ILE A 103 9.461 -4.514 -3.452 1.00 43.22 H new ATOM 0 HG13 ILE A 103 9.359 -2.810 -3.847 1.00 43.22 H new ATOM 0 HG21 ILE A 103 6.560 -5.263 -3.312 1.00 33.41 H new ATOM 0 HG22 ILE A 103 6.263 -5.521 -5.048 1.00 33.41 H new ATOM 0 HG23 ILE A 103 7.764 -6.121 -4.303 1.00 33.41 H new ATOM 0 HD11 ILE A 103 8.993 -3.176 -1.445 1.00 3.00 H new ATOM 0 HD12 ILE A 103 7.521 -2.525 -2.205 1.00 3.00 H new ATOM 0 HD13 ILE A 103 7.624 -4.256 -1.804 1.00 3.00 H new ATOM 1498 N ALA A 104 6.685 -3.847 -7.757 1.00 72.24 N ATOM 1499 CA ALA A 104 5.962 -4.300 -8.942 1.00 22.15 C ATOM 1500 C ALA A 104 6.887 -4.512 -10.149 1.00 60.34 C ATOM 1501 O ALA A 104 6.574 -5.311 -11.028 1.00 21.20 O ATOM 1502 CB ALA A 104 4.876 -3.280 -9.296 1.00 21.50 C ATOM 0 H ALA A 104 6.401 -2.924 -7.428 1.00 72.24 H new ATOM 0 HA ALA A 104 5.515 -5.265 -8.705 1.00 22.15 H new ATOM 0 HB1 ALA A 104 4.335 -3.617 -10.181 1.00 21.50 H new ATOM 0 HB2 ALA A 104 4.182 -3.183 -8.461 1.00 21.50 H new ATOM 0 HB3 ALA A 104 5.337 -2.313 -9.499 1.00 21.50 H new ATOM 1508 N ASP A 105 8.020 -3.812 -10.226 1.00 62.32 N ATOM 1509 CA ASP A 105 8.935 -3.886 -11.377 1.00 21.35 C ATOM 1510 C ASP A 105 9.458 -5.307 -11.569 1.00 43.43 C ATOM 1511 O ASP A 105 9.528 -5.813 -12.691 1.00 53.31 O ATOM 1512 CB ASP A 105 10.120 -2.926 -11.206 1.00 11.30 C ATOM 1513 CG ASP A 105 11.112 -3.038 -12.372 1.00 3.20 C ATOM 1514 OD1 ASP A 105 10.832 -2.433 -13.432 1.00 12.44 O ATOM 1515 OD2 ASP A 105 12.158 -3.713 -12.249 1.00 62.54 O ATOM 0 H ASP A 105 8.334 -3.175 -9.493 1.00 62.32 H new ATOM 0 HA ASP A 105 8.367 -3.592 -12.260 1.00 21.35 H new ATOM 0 HB2 ASP A 105 9.752 -1.902 -11.138 1.00 11.30 H new ATOM 0 HB3 ASP A 105 10.633 -3.144 -10.269 1.00 11.30 H new ATOM 1519 N LEU A 106 9.787 -5.957 -10.457 1.00 3.33 N ATOM 1520 CA LEU A 106 10.462 -7.247 -10.397 1.00 21.53 C ATOM 1521 C LEU A 106 9.465 -8.387 -10.193 1.00 11.13 C ATOM 1522 O LEU A 106 9.882 -9.513 -9.918 1.00 65.44 O ATOM 1523 CB LEU A 106 11.514 -7.186 -9.272 1.00 65.25 C ATOM 1524 CG LEU A 106 12.588 -6.093 -9.474 1.00 51.12 C ATOM 1525 CD1 LEU A 106 13.297 -5.773 -8.157 1.00 5.12 C ATOM 1526 CD2 LEU A 106 13.611 -6.510 -10.532 1.00 34.24 C ATOM 0 H LEU A 106 9.580 -5.581 -9.532 1.00 3.33 H new ATOM 0 HA LEU A 106 10.961 -7.453 -11.344 1.00 21.53 H new ATOM 0 HB2 LEU A 106 11.007 -7.011 -8.323 1.00 65.25 H new ATOM 0 HB3 LEU A 106 12.007 -8.155 -9.196 1.00 65.25 H new ATOM 0 HG LEU A 106 12.078 -5.195 -9.824 1.00 51.12 H new ATOM 0 HD11 LEU A 106 14.048 -5.001 -8.326 1.00 5.12 H new ATOM 0 HD12 LEU A 106 12.568 -5.417 -7.429 1.00 5.12 H new ATOM 0 HD13 LEU A 106 13.781 -6.673 -7.776 1.00 5.12 H new ATOM 0 HD21 LEU A 106 14.353 -5.721 -10.651 1.00 34.24 H new ATOM 0 HD22 LEU A 106 14.106 -7.429 -10.217 1.00 34.24 H new ATOM 0 HD23 LEU A 106 13.104 -6.678 -11.482 1.00 34.24 H new ATOM 1537 N TRP A 107 8.166 -8.095 -10.290 1.00 3.02 N ATOM 1538 CA TRP A 107 7.099 -9.051 -10.081 1.00 43.04 C ATOM 1539 C TRP A 107 7.034 -9.997 -11.273 1.00 24.24 C ATOM 1540 O TRP A 107 6.979 -11.226 -11.057 1.00 15.21 O ATOM 1541 CB TRP A 107 5.790 -8.283 -9.839 1.00 55.13 C ATOM 1542 CG TRP A 107 4.783 -8.934 -8.951 1.00 33.51 C ATOM 1543 CD1 TRP A 107 3.701 -9.642 -9.346 1.00 51.05 C ATOM 1544 CD2 TRP A 107 4.690 -8.833 -7.500 1.00 11.20 C ATOM 1545 NE1 TRP A 107 2.987 -10.042 -8.235 1.00 42.11 N ATOM 1546 CE2 TRP A 107 3.553 -9.573 -7.072 1.00 13.03 C ATOM 1547 CE3 TRP A 107 5.428 -8.152 -6.509 1.00 34.34 C ATOM 1548 CZ2 TRP A 107 3.181 -9.664 -5.726 1.00 51.44 C ATOM 1549 CZ3 TRP A 107 5.068 -8.251 -5.147 1.00 24.32 C ATOM 1550 CH2 TRP A 107 3.934 -8.988 -4.757 1.00 52.31 C ATOM 0 H TRP A 107 7.828 -7.161 -10.522 1.00 3.02 H new ATOM 0 HA TRP A 107 7.279 -9.668 -9.200 1.00 43.04 H new ATOM 0 HB2 TRP A 107 6.040 -7.311 -9.414 1.00 55.13 H new ATOM 0 HB3 TRP A 107 5.321 -8.097 -10.805 1.00 55.13 H new ATOM 0 HD1 TRP A 107 3.437 -9.860 -10.370 1.00 51.05 H new ATOM 0 HE1 TRP A 107 2.144 -10.615 -8.271 1.00 42.11 H new ATOM 0 HE3 TRP A 107 6.277 -7.549 -6.795 1.00 34.34 H new ATOM 0 HZ2 TRP A 107 2.321 -10.250 -5.437 1.00 51.44 H new ATOM 0 HZ3 TRP A 107 5.668 -7.757 -4.398 1.00 24.32 H new ATOM 0 HH2 TRP A 107 3.646 -9.032 -3.717 1.00 52.31 H new